3-cyclohexyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1-cyclopentyl-2,2,2-trifluoro-1-(4-methylphenyl)ethanol;3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1,1,1-trifluoro-5-methyl-2-(4-methylphenyl)hexan-2-ol;1,1,1-trifluoro-4-methyl-2-(4-methylphenyl)pentan-2-ol;1,1,1-trifluoro-2-(4-methylphenyl)butan-2-ol;1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol

C92H116F21NO7 — CID 158449283

IUPAC3-cyclohexyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1-cyclopentyl-2,2,2-trifluoro-1-(4-methylphenyl)ethanol;3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1,1,1-trifluoro-5-methyl-2-(4-methylphenyl)hexan-2-ol;1,1,1-trifluoro-4-methyl-2-(4-methylphenyl)pentan-2-ol;1,1,1-trifluoro-2-(4-methylphenyl)butan-2-ol;1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol
SMILESCCC(O)(c1ccc(C)cc1)C(F)(F)F.Cc1ccc(C(C)(O)C(F)(F)F)cn1.Cc1ccc(C(O)(C2CCCC2)C(F)(F)F)cc1.Cc1ccc(C(O)(CC(C)C)C(F)(F)F)cc1.Cc1ccc(C(O)(CC2CCCC2)C(F)(F)F)cc1.Cc1ccc(C(O)(CC2CCCCC2)C(F)(F)F)cc1.Cc1ccc(C(O)(CCC(C)C)C(F)(F)F)cc1
InChIInChI=1S/C16H21F3O.C15H19F3O.C14H17F3O.C14H19F3O.C13H17F3O.C11H13F3O.C9H10F3NO/c1-12-7-9-14(10-8-12)15(20,16(17,18)19)11-13-5-3-2-4-6-13;1-11-6-8-13(9-7-11)14(19,15(16,17)18)10-12-4-2-3-5-12;1-10-6-8-12(9-7-10)13(18,14(15,16)17)11-4-2-3-5-11;1-10(2)8-9-13(18,14(15,16)17)12-6-4-11(3)5-7-12;1-9(2)8-12(17,13(14,15)16)11-6-4-10(3)5-7-11;1-3-10(15,11(12,13)14)9-6-4-8(2)5-7-9;1-6-3-4-7(5-13-6)8(2,14)9(10,11)12/h7-10,13,20H,2-6,11H2,1H3;6-9,12,19H,2-5,10H2,1H3;6-9,11,18H,2-5H2,1H3;4-7,10,18H,8-9H2,1-3H3;4-7,9,17H,8H2,1-3H3;4-7,15H,3H2,1-2H3;3-5,14H,1-2H3
InChIKeyHDTXVRFVTKDEDT-UHFFFAOYSA-N
MW1746.90 g/mol
LogP26.26
Rot. Bonds18

About 3-cyclohexyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1-cyclopentyl-2,2,2-trifluoro-1-(4-methylphenyl)ethanol;3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1,1,1-trifluoro-5-methyl-2-(4-methylphenyl)hexan-2-ol;1,1,1-trifluoro-4-methyl-2-(4-methylphenyl)pentan-2-ol;1,1,1-trifluoro-2-(4-methylphenyl)butan-2-ol;1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol

3-cyclohexyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1-cyclopentyl-2,2,2-trifluoro-1-(4-methylphenyl)ethanol;3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1,1,1-trifluoro-5-methyl-2-(4-methylphenyl)hexan-2-ol;1,1,1-trifluoro-4-methyl-2-(4-methylphenyl)pentan-2-ol;1,1,1-trifluoro-2-(4-methylphenyl)butan-2-ol;1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol (PubChem CID 158449283) has the molecular formula C92H116F21NO7 and a molecular weight of 1746.90 g/mol. Its IUPAC name is 3-cyclohexyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1-cyclopentyl-2,2,2-trifluoro-1-(4-methylphenyl)ethanol;3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1,1,1-trifluoro-5-methyl-2-(4-methylphenyl)hexan-2-ol;1,1,1-trifluoro-4-methyl-2-(4-methylphenyl)pentan-2-ol;1,1,1-trifluoro-2-(4-methylphenyl)butan-2-ol;1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name3-cyclohexyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1-cyclopentyl-2,2,2-trifluoro-1-(4-methylphenyl)ethanol;3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1,1,1-trifluoro-5-methyl-2-(4-methylphenyl)hexan-2-ol;1,1,1-trifluoro-4-methyl-2-(4-methylphenyl)pentan-2-ol;1,1,1-trifluoro-2-(4-methylphenyl)butan-2-ol;1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol
PubChem CID158449283
Molecular FormulaC92H116F21NO7
Molecular Weight1746.90 g/mol
Exact Mass1745.84
IUPAC Name3-cyclohexyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1-cyclopentyl-2,2,2-trifluoro-1-(4-methylphenyl)ethanol;3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1,1,1-trifluoro-5-methyl-2-(4-methylphenyl)hexan-2-ol;1,1,1-trifluoro-4-methyl-2-(4-methylphenyl)pentan-2-ol;1,1,1-trifluoro-2-(4-methylphenyl)butan-2-ol;1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol
SMILESCCC(O)(c1ccc(C)cc1)C(F)(F)F.Cc1ccc(C(C)(O)C(F)(F)F)cn1.Cc1ccc(C(O)(C2CCCC2)C(F)(F)F)cc1.Cc1ccc(C(O)(CC(C)C)C(F)(F)F)cc1.Cc1ccc(C(O)(CC2CCCC2)C(F)(F)F)cc1.Cc1ccc(C(O)(CC2CCCCC2)C(F)(F)F)cc1.Cc1ccc(C(O)(CCC(C)C)C(F)(F)F)cc1
InChIInChI=1S/C16H21F3O.C15H19F3O.C14H17F3O.C14H19F3O.C13H17F3O.C11H13F3O.C9H10F3NO/c1-12-7-9-14(10-8-12)15(20,16(17,18)19)11-13-5-3-2-4-6-13;1-11-6-8-13(9-7-11)14(19,15(16,17)18)10-12-4-2-3-5-12;1-10-6-8-12(9-7-10)13(18,14(15,16)17)11-4-2-3-5-11;1-10(2)8-9-13(18,14(15,16)17)12-6-4-11(3)5-7-12;1-9(2)8-12(17,13(14,15)16)11-6-4-10(3)5-7-11;1-3-10(15,11(12,13)14)9-6-4-8(2)5-7-9;1-6-3-4-7(5-13-6)8(2,14)9(10,11)12/h7-10,13,20H,2-6,11H2,1H3;6-9,12,19H,2-5,10H2,1H3;6-9,11,18H,2-5H2,1H3;4-7,10,18H,8-9H2,1-3H3;4-7,9,17H,8H2,1-3H3;4-7,15H,3H2,1-2H3;3-5,14H,1-2H3
InChIKeyHDTXVRFVTKDEDT-UHFFFAOYSA-N
XLogP26.26
TPSA154.50 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001746.90
LogP ≤ 526.26
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Analyze 3-cyclohexyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1-cyclopentyl-2,2,2-trifluoro-1-(4-methylphenyl)ethanol;3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1,1,1-trifluoro-5-methyl-2-(4-methylphenyl)hexan-2-ol;1,1,1-trifluoro-4-methyl-2-(4-methylphenyl)pentan-2-ol;1,1,1-trifluoro-2-(4-methylphenyl)butan-2-ol;1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol with MolForge

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Related Compounds

(4-Propan-2-ylphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
CID 56665872
Pyridin-3-yl-bis[4-(trifluoromethyl)phenyl]methanol
CID 56669287
[4-(Dimethylamino)phenyl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
CID 56682754
(2-Fluorophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
CID 56682630
(2R,3S)-3-isoquinolin-1-yl-2-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 139121135
[1-[(4-Pyridin-2-ylphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol
CID 15452124
2-Methyl-1-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 21415654
1,1,1,3,3,3-Hexafluoro-2-[4-[4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
CID 46891655
1,1,1-Trifluoro-2,3-diphenyl-3-(pyridin-2-yl)propan-2-ol
CID 54181184
2-[4-[Difluoro-[4-[4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]oxymethyl]-3-fluorophenyl]-5-pentylpyridine
CID 58383552
2-(2,4-Difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]pent-4-yn-2-ol
CID 58554524
2-(2,4-Difluorophenyl)-1,1-difluoro-1-(5-phenyl-2-pyridinyl)butan-2-ol
CID 58554527

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1-cyclopentyl-2,2,2-trifluoro-1-(4-methylphenyl)ethanol;3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1,1,1-trifluoro-5-methyl-2-(4-methylphenyl)hexan-2-ol;1,1,1-trifluoro-4-methyl-2-(4-methylphenyl)pentan-2-ol;1,1,1-trifluoro-2-(4-methylphenyl)butan-2-ol;1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol?
The IUPAC name of 3-cyclohexyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1-cyclopentyl-2,2,2-trifluoro-1-(4-methylphenyl)ethanol;3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1,1,1-trifluoro-5-methyl-2-(4-methylphenyl)hexan-2-ol;1,1,1-trifluoro-4-methyl-2-(4-methylphenyl)pentan-2-ol;1,1,1-trifluoro-2-(4-methylphenyl)butan-2-ol;1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol (CID 158449283) is 3-cyclohexyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1-cyclopentyl-2,2,2-trifluoro-1-(4-methylphenyl)ethanol;3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1,1,1-trifluoro-5-methyl-2-(4-methylphenyl)hexan-2-ol;1,1,1-trifluoro-4-methyl-2-(4-methylphenyl)pentan-2-ol;1,1,1-trifluoro-2-(4-methylphenyl)butan-2-ol;1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol.
What is the SMILES notation for 3-cyclohexyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1-cyclopentyl-2,2,2-trifluoro-1-(4-methylphenyl)ethanol;3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1,1,1-trifluoro-5-methyl-2-(4-methylphenyl)hexan-2-ol;1,1,1-trifluoro-4-methyl-2-(4-methylphenyl)pentan-2-ol;1,1,1-trifluoro-2-(4-methylphenyl)butan-2-ol;1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol?
The canonical SMILES for 3-cyclohexyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1-cyclopentyl-2,2,2-trifluoro-1-(4-methylphenyl)ethanol;3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1,1,1-trifluoro-5-methyl-2-(4-methylphenyl)hexan-2-ol;1,1,1-trifluoro-4-methyl-2-(4-methylphenyl)pentan-2-ol;1,1,1-trifluoro-2-(4-methylphenyl)butan-2-ol;1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol is CCC(O)(c1ccc(C)cc1)C(F)(F)F.Cc1ccc(C(C)(O)C(F)(F)F)cn1.Cc1ccc(C(O)(C2CCCC2)C(F)(F)F)cc1.Cc1ccc(C(O)(CC(C)C)C(F)(F)F)cc1.Cc1ccc(C(O)(CC2CCCC2)C(F)(F)F)cc1.Cc1ccc(C(O)(CC2CCCCC2)C(F)(F)F)cc1.Cc1ccc(C(O)(CCC(C)C)C(F)(F)F)cc1.
What is the InChIKey of 3-cyclohexyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1-cyclopentyl-2,2,2-trifluoro-1-(4-methylphenyl)ethanol;3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1,1,1-trifluoro-5-methyl-2-(4-methylphenyl)hexan-2-ol;1,1,1-trifluoro-4-methyl-2-(4-methylphenyl)pentan-2-ol;1,1,1-trifluoro-2-(4-methylphenyl)butan-2-ol;1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol?
The InChIKey is HDTXVRFVTKDEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3O.C15H19F3O.C14H17F3O.C14H19F3O.C13H17F3O.C11H13F3O.C9H10F3NO/c1-12-7-9-14(10-8-12)15(20,16(17,18)19)11-13-5-3-2-4-6-13;1-11-6-8-13(9-7-11)14(19,15(16,17)18)10-12-4-2-3-5-12;1-10-6-8-12(9-7-10)13(18,14(15,16)17)11-4-2-3-5-11;1-10(2)8-9-13(18,14(15,16)17)12-6-4-11(3)5-7-12;1-9(2)8-12(17,13(14,15)16)11-6-4-10(3)5-7-11;1-3-10(15,11(12,13)14)9-6-4-8(2)5-7-9;1-6-3-4-7(5-13-6)8(2,14)9(10,11)12/h7-10,13,20H,2-6,11H2,1H3;6-9,12,19H,2-5,10H2,1H3;6-9,11,18H,2-5H2,1H3;4-7,10,18H,8-9H2,1-3H3;4-7,9,17H,8H2,1-3H3;4-7,15H,3H2,1-2H3;3-5,14H,1-2H3.
What are the key properties of 3-cyclohexyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1-cyclopentyl-2,2,2-trifluoro-1-(4-methylphenyl)ethanol;3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1,1,1-trifluoro-5-methyl-2-(4-methylphenyl)hexan-2-ol;1,1,1-trifluoro-4-methyl-2-(4-methylphenyl)pentan-2-ol;1,1,1-trifluoro-2-(4-methylphenyl)butan-2-ol;1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol?
3-cyclohexyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1-cyclopentyl-2,2,2-trifluoro-1-(4-methylphenyl)ethanol;3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1,1,1-trifluoro-5-methyl-2-(4-methylphenyl)hexan-2-ol;1,1,1-trifluoro-4-methyl-2-(4-methylphenyl)pentan-2-ol;1,1,1-trifluoro-2-(4-methylphenyl)butan-2-ol;1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol has a molecular weight of 1746.90 g/mol, XLogP of 26.26, 18 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1-cyclopentyl-2,2,2-trifluoro-1-(4-methylphenyl)ethanol;3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol;1,1,1-trifluoro-5-methyl-2-(4-methylphenyl)hexan-2-ol;1,1,1-trifluoro-4-methyl-2-(4-methylphenyl)pentan-2-ol;1,1,1-trifluoro-2-(4-methylphenyl)butan-2-ol;1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol is sourced from PubChem (CID 158449283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).