(4-propan-2-ylcyclohexyl)-(2,3,4-trifluorophenyl)methanol

C16H21F3O — CID 65425286

IUPAC(4-propan-2-ylcyclohexyl)-(2,3,4-trifluorophenyl)methanol
SMILESCC(C)C1CCC(C(O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C16H21F3O/c1-9(2)10-3-5-11(6-4-10)16(20)12-7-8-13(17)15(19)14(12)18/h7-11,16,20H,3-6H2,1-2H3
InChIKeyODOOJNAJNRJXLH-UHFFFAOYSA-N
MW286.34 g/mol
LogP4.60
Rot. Bonds3

About (4-propan-2-ylcyclohexyl)-(2,3,4-trifluorophenyl)methanol

(4-propan-2-ylcyclohexyl)-(2,3,4-trifluorophenyl)methanol (PubChem CID 65425286) has the molecular formula C16H21F3O and a molecular weight of 286.34 g/mol. Its IUPAC name is (4-propan-2-ylcyclohexyl)-(2,3,4-trifluorophenyl)methanol.

Molecular Properties

Compound Name(4-propan-2-ylcyclohexyl)-(2,3,4-trifluorophenyl)methanol
PubChem CID65425286
Molecular FormulaC16H21F3O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name(4-propan-2-ylcyclohexyl)-(2,3,4-trifluorophenyl)methanol
SMILESCC(C)C1CCC(C(O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C16H21F3O/c1-9(2)10-3-5-11(6-4-10)16(20)12-7-8-13(17)15(19)14(12)18/h7-11,16,20H,3-6H2,1-2H3
InChIKeyODOOJNAJNRJXLH-UHFFFAOYSA-N
XLogP4.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

cyclobutyl-(2,3,4-trifluorophenyl)methanol
CID 64986364
oxan-4-yl-(2,3,4-trifluorophenyl)methanol
CID 63902199
oxolan-3-yl-(2,3,4-trifluorophenyl)methanol
CID 63893972
(4-fluoro-3-methylphenyl)-(4-propan-2-ylcyclohexyl)methanol
CID 65424893
cyclopropyl-(2,3,6-trifluorophenyl)methanol
CID 139965789
(2,2,3,3-tetramethylcyclopropyl)-(2,3,4-trifluorophenyl)methanol
CID 115796992
(2,3-difluoro-4-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 107516176
[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-(4-methylcyclohexyl)methanol
CID 134358796
cyclopentyl-(2,3-difluorophenyl)methanol
CID 63894572
[2-cyclopropyl-1-(2,3,4-trifluorophenyl)propyl]hydrazine
CID 105305668
(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanamine
CID 62965487
(4-bromo-3-chloro-2-fluorophenyl)-cyclopropylmethanol
CID 106761352

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylcyclohexyl)-(2,3,4-trifluorophenyl)methanol?
The IUPAC name of (4-propan-2-ylcyclohexyl)-(2,3,4-trifluorophenyl)methanol (CID 65425286) is (4-propan-2-ylcyclohexyl)-(2,3,4-trifluorophenyl)methanol.
What is the SMILES notation for (4-propan-2-ylcyclohexyl)-(2,3,4-trifluorophenyl)methanol?
The canonical SMILES for (4-propan-2-ylcyclohexyl)-(2,3,4-trifluorophenyl)methanol is CC(C)C1CCC(C(O)c2ccc(F)c(F)c2F)CC1.
What is the InChIKey of (4-propan-2-ylcyclohexyl)-(2,3,4-trifluorophenyl)methanol?
The InChIKey is ODOOJNAJNRJXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3O/c1-9(2)10-3-5-11(6-4-10)16(20)12-7-8-13(17)15(19)14(12)18/h7-11,16,20H,3-6H2,1-2H3.
What are the key properties of (4-propan-2-ylcyclohexyl)-(2,3,4-trifluorophenyl)methanol?
(4-propan-2-ylcyclohexyl)-(2,3,4-trifluorophenyl)methanol has a molecular weight of 286.34 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylcyclohexyl)-(2,3,4-trifluorophenyl)methanol is sourced from PubChem (CID 65425286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).