3,3-difluoro-4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol;1,1,1-trifluoro-2-(2-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-(4-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-ol

C53H83F23O7 — CID 159874976

IUPAC3,3-difluoro-4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol;1,1,1-trifluoro-2-(2-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-(4-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-ol
SMILESCC(C)(C1CCC(C(C)(O)C(F)(F)F)CC1)C(F)(F)F.CC1(C)COC(O)(C(F)(F)F)C1(F)F.CC1CC(C(C)(O)C(F)(F)F)CC(C(C)(O)C(F)(F)F)C1.CC1CCC(C(C)(O)C(F)(F)F)CC1.CC1CCCCC1C(C)(O)C(F)(F)F
InChIInChI=1S/C13H20F6O2.C13H20F6O.2C10H17F3O.C7H9F5O2/c1-7-4-8(10(2,20)12(14,15)16)6-9(5-7)11(3,21)13(17,18)19;1-10(2,12(14,15)16)8-4-6-9(7-5-8)11(3,20)13(17,18)19;1-7-3-5-8(6-4-7)9(2,14)10(11,12)13;1-7-5-3-4-6-8(7)9(2,14)10(11,12)13;1-4(2)3-14-6(13,5(4,8)9)7(10,11)12/h7-9,20-21H,4-6H2,1-3H3;8-9,20H,4-7H2,1-3H3;2*7-8,14H,3-6H2,1-2H3;13H,3H2,1-2H3
InChIKeyNSUCAPWLPHHZKZ-UHFFFAOYSA-N
MW1269.19 g/mol
LogP16.54
Rot. Bonds6

About 3,3-difluoro-4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol;1,1,1-trifluoro-2-(2-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-(4-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-ol

3,3-difluoro-4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol;1,1,1-trifluoro-2-(2-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-(4-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-ol (PubChem CID 159874976) has the molecular formula C53H83F23O7 and a molecular weight of 1269.19 g/mol. Its IUPAC name is 3,3-difluoro-4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol;1,1,1-trifluoro-2-(2-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-(4-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-ol.

Molecular Properties

Compound Name3,3-difluoro-4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol;1,1,1-trifluoro-2-(2-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-(4-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-ol
PubChem CID159874976
Molecular FormulaC53H83F23O7
Molecular Weight1269.19 g/mol
Exact Mass1268.58
IUPAC Name3,3-difluoro-4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol;1,1,1-trifluoro-2-(2-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-(4-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-ol
SMILESCC(C)(C1CCC(C(C)(O)C(F)(F)F)CC1)C(F)(F)F.CC1(C)COC(O)(C(F)(F)F)C1(F)F.CC1CC(C(C)(O)C(F)(F)F)CC(C(C)(O)C(F)(F)F)C1.CC1CCC(C(C)(O)C(F)(F)F)CC1.CC1CCCCC1C(C)(O)C(F)(F)F
InChIInChI=1S/C13H20F6O2.C13H20F6O.2C10H17F3O.C7H9F5O2/c1-7-4-8(10(2,20)12(14,15)16)6-9(5-7)11(3,21)13(17,18)19;1-10(2,12(14,15)16)8-4-6-9(7-5-8)11(3,20)13(17,18)19;1-7-3-5-8(6-4-7)9(2,14)10(11,12)13;1-7-5-3-4-6-8(7)9(2,14)10(11,12)13;1-4(2)3-14-6(13,5(4,8)9)7(10,11)12/h7-9,20-21H,4-6H2,1-3H3;8-9,20H,4-7H2,1-3H3;2*7-8,14H,3-6H2,1-2H3;13H,3H2,1-2H3
InChIKeyNSUCAPWLPHHZKZ-UHFFFAOYSA-N
XLogP16.54
TPSA130.61 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001269.19
LogP ≤ 516.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze 3,3-difluoro-4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol;1,1,1-trifluoro-2-(2-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-(4-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-ol with MolForge

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Related Compounds

1,1,1-trifluoro-2-[3-methyl-5-(1,1,1-trifluoro-2-nitrosopropan-2-yl)cyclohexyl]propan-2-ol
CID 90951358
2-cyclobutyl-1,1,1-trifluoropropan-2-ol
CID 130685158
2-[3-[2-[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1-trifluoropropan-2-ol
CID 58330636
1,1,1-trifluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
CID 23570050
1,1,1-trifluoro-2-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol
CID 58330634
2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol
CID 58958840
1-methyl-2-(trifluoromethyl)cyclohexane
CID 18711399
3,3-difluoro-4-methyl-2-(trifluoromethyl)-4-(2-trimethylsilylethoxy)oxolan-2-ol;3,3-difluoro-2-(trifluoromethyl)-3a-(2-trimethylsilylethyl)-4,5,6,6a-tetrahydrocyclopenta[b]furan-2-ol
CID 90997935
[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-fluoro-2-methylbutanoate
CID 58881422
2,3,3-trifluoro-4,4-dimethyloxolan-2-ol
CID 164772515
4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undec-9-en-3-ol
CID 58621728
2-methyl-2-(3-methylcyclopentyl)propan-1-ol
CID 130126553

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol;1,1,1-trifluoro-2-(2-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-(4-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-ol?
The IUPAC name of 3,3-difluoro-4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol;1,1,1-trifluoro-2-(2-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-(4-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-ol (CID 159874976) is 3,3-difluoro-4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol;1,1,1-trifluoro-2-(2-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-(4-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-ol.
What is the SMILES notation for 3,3-difluoro-4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol;1,1,1-trifluoro-2-(2-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-(4-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-ol?
The canonical SMILES for 3,3-difluoro-4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol;1,1,1-trifluoro-2-(2-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-(4-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-ol is CC(C)(C1CCC(C(C)(O)C(F)(F)F)CC1)C(F)(F)F.CC1(C)COC(O)(C(F)(F)F)C1(F)F.CC1CC(C(C)(O)C(F)(F)F)CC(C(C)(O)C(F)(F)F)C1.CC1CCC(C(C)(O)C(F)(F)F)CC1.CC1CCCCC1C(C)(O)C(F)(F)F.
What is the InChIKey of 3,3-difluoro-4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol;1,1,1-trifluoro-2-(2-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-(4-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-ol?
The InChIKey is NSUCAPWLPHHZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F6O2.C13H20F6O.2C10H17F3O.C7H9F5O2/c1-7-4-8(10(2,20)12(14,15)16)6-9(5-7)11(3,21)13(17,18)19;1-10(2,12(14,15)16)8-4-6-9(7-5-8)11(3,20)13(17,18)19;1-7-3-5-8(6-4-7)9(2,14)10(11,12)13;1-7-5-3-4-6-8(7)9(2,14)10(11,12)13;1-4(2)3-14-6(13,5(4,8)9)7(10,11)12/h7-9,20-21H,4-6H2,1-3H3;8-9,20H,4-7H2,1-3H3;2*7-8,14H,3-6H2,1-2H3;13H,3H2,1-2H3.
What are the key properties of 3,3-difluoro-4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol;1,1,1-trifluoro-2-(2-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-(4-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-ol?
3,3-difluoro-4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol;1,1,1-trifluoro-2-(2-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-(4-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-ol has a molecular weight of 1269.19 g/mol, XLogP of 16.54, 6 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol;1,1,1-trifluoro-2-(2-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-(4-methylcyclohexyl)propan-2-ol;1,1,1-trifluoro-2-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-ol is sourced from PubChem (CID 159874976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).