(2R)-1,1,1-trifluoro-3-(4-methylcyclohexyl)propan-2-ol

C10H17F3O — CID 130596537

IUPAC(2R)-1,1,1-trifluoro-3-(4-methylcyclohexyl)propan-2-ol
SMILESCC1CCC(C[C@@H](O)C(F)(F)F)CC1
InChIInChI=1S/C10H17F3O/c1-7-2-4-8(5-3-7)6-9(14)10(11,12)13/h7-9,14H,2-6H2,1H3/t7?,8?,9-/m1/s1
InChIKeyWYPICPDYXHDJQV-AMDVSUOASA-N
MW210.24 g/mol
LogP3.13
Rot. Bonds2

About (2R)-1,1,1-trifluoro-3-(4-methylcyclohexyl)propan-2-ol

(2R)-1,1,1-trifluoro-3-(4-methylcyclohexyl)propan-2-ol (PubChem CID 130596537) has the molecular formula C10H17F3O and a molecular weight of 210.24 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-3-(4-methylcyclohexyl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-3-(4-methylcyclohexyl)propan-2-ol
PubChem CID130596537
Molecular FormulaC10H17F3O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name(2R)-1,1,1-trifluoro-3-(4-methylcyclohexyl)propan-2-ol
SMILESCC1CCC(C[C@@H](O)C(F)(F)F)CC1
InChIInChI=1S/C10H17F3O/c1-7-2-4-8(5-3-7)6-9(14)10(11,12)13/h7-9,14H,2-6H2,1H3/t7?,8?,9-/m1/s1
InChIKeyWYPICPDYXHDJQV-AMDVSUOASA-N
XLogP3.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-3-[4-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexyl]propanoic acid
CID 84739030
(2S)-1-(4-methylcyclohexyl)butan-2-ol
CID 67556364
3-[4-[(1-aminocyclopropyl)methyl]cyclohexyl]-1,1,1-trifluoropropan-2-ol
CID 84738487
2,2,2-trifluoro-1-(4-methylcyclohexyl)ethanol
CID 64773776
1-cyclopropyl-3-(4-methylcyclohexyl)propan-1-ol
CID 64775324
1-cyclohexyl-3,3-difluorobutan-2-ol
CID 131122835
1,1,1-trifluoro-3-piperidin-3-ylpropan-2-ol
CID 84733447
3-fluoro-2-methyl-4-(4-methylcyclohexyl)butan-2-amine
CID 126984889
[3,3,3-trifluoro-2-(trifluoromethyl)propyl]cyclopropane
CID 87736977
(2S)-1-(4-methylcyclohexyl)propan-2-amine
CID 163792436
1-methyl-4-(1,1,1-trifluoropropan-2-yl)cyclohexane
CID 162553460
1-chloro-3-cyclobutyl-1,1-difluoropropan-2-ol
CID 112575215

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-3-(4-methylcyclohexyl)propan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-3-(4-methylcyclohexyl)propan-2-ol (CID 130596537) is (2R)-1,1,1-trifluoro-3-(4-methylcyclohexyl)propan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-3-(4-methylcyclohexyl)propan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-3-(4-methylcyclohexyl)propan-2-ol is CC1CCC(C[C@@H](O)C(F)(F)F)CC1.
What is the InChIKey of (2R)-1,1,1-trifluoro-3-(4-methylcyclohexyl)propan-2-ol?
The InChIKey is WYPICPDYXHDJQV-AMDVSUOASA-N. The full InChI is InChI=1S/C10H17F3O/c1-7-2-4-8(5-3-7)6-9(14)10(11,12)13/h7-9,14H,2-6H2,1H3/t7?,8?,9-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-3-(4-methylcyclohexyl)propan-2-ol?
(2R)-1,1,1-trifluoro-3-(4-methylcyclohexyl)propan-2-ol has a molecular weight of 210.24 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-3-(4-methylcyclohexyl)propan-2-ol is sourced from PubChem (CID 130596537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).