(2R)-2-[(1R)-cyclohex-2-en-1-yl]-1,1,1-trifluoro-3-methylpentan-2-ol

C12H19F3O — CID 14900078

IUPAC(2R)-2-[(1R)-cyclohex-2-en-1-yl]-1,1,1-trifluoro-3-methylpentan-2-ol
SMILESCCC(C)[C@@](O)([C@H]1C=CCCC1)C(F)(F)F
InChIInChI=1S/C12H19F3O/c1-3-9(2)11(16,12(13,14)15)10-7-5-4-6-8-10/h5,7,9-10,16H,3-4,6,8H2,1-2H3/t9?,10-,11+/m0/s1
InChIKeyQTCWLQHGSQXQKU-QXXIUIOUSA-N
MW236.28 g/mol
LogP3.68
Rot. Bonds3

About (2R)-2-[(1R)-cyclohex-2-en-1-yl]-1,1,1-trifluoro-3-methylpentan-2-ol

(2R)-2-[(1R)-cyclohex-2-en-1-yl]-1,1,1-trifluoro-3-methylpentan-2-ol (PubChem CID 14900078) has the molecular formula C12H19F3O and a molecular weight of 236.28 g/mol. Its IUPAC name is (2R)-2-[(1R)-cyclohex-2-en-1-yl]-1,1,1-trifluoro-3-methylpentan-2-ol.

Molecular Properties

Compound Name(2R)-2-[(1R)-cyclohex-2-en-1-yl]-1,1,1-trifluoro-3-methylpentan-2-ol
PubChem CID14900078
Molecular FormulaC12H19F3O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name(2R)-2-[(1R)-cyclohex-2-en-1-yl]-1,1,1-trifluoro-3-methylpentan-2-ol
SMILESCCC(C)[C@@](O)([C@H]1C=CCCC1)C(F)(F)F
InChIInChI=1S/C12H19F3O/c1-3-9(2)11(16,12(13,14)15)10-7-5-4-6-8-10/h5,7,9-10,16H,3-4,6,8H2,1-2H3/t9?,10-,11+/m0/s1
InChIKeyQTCWLQHGSQXQKU-QXXIUIOUSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R)-2-[(1R)-cyclohex-2-en-1-yl]-1,1,1-trifluoro-3-methylpentan-2-ol with MolForge

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Related Compounds

Bisabolol
CID 1549992
Levomenol
CID 442343
beta-Bisabolol
CID 12300146
alpha,4-Dimethyl-alpha-(4-methyl-3-penten-1-yl)-3-cyclohexene-1-methanol
CID 10586
alpha-Bisabolol, (+)-epi-
CID 1201551
alpha-Bisabolol, (-)-epi-
CID 1616126
4-Methyl-1-(6-methylhept-5-en-2-yl)cyclohex-3-en-1-ol
CID 27208
(2S)-6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol
CID 6097621
epi-beta-Bisabolol
CID 12300148
(2R)-6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol
CID 6506009
p-Mentha-1(7),2-dien-8-ol
CID 522161
Iso-beta-bisabolol
CID 12300147

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-cyclohex-2-en-1-yl]-1,1,1-trifluoro-3-methylpentan-2-ol?
The IUPAC name of (2R)-2-[(1R)-cyclohex-2-en-1-yl]-1,1,1-trifluoro-3-methylpentan-2-ol (CID 14900078) is (2R)-2-[(1R)-cyclohex-2-en-1-yl]-1,1,1-trifluoro-3-methylpentan-2-ol.
What is the SMILES notation for (2R)-2-[(1R)-cyclohex-2-en-1-yl]-1,1,1-trifluoro-3-methylpentan-2-ol?
The canonical SMILES for (2R)-2-[(1R)-cyclohex-2-en-1-yl]-1,1,1-trifluoro-3-methylpentan-2-ol is CCC(C)[C@@](O)([C@H]1C=CCCC1)C(F)(F)F.
What is the InChIKey of (2R)-2-[(1R)-cyclohex-2-en-1-yl]-1,1,1-trifluoro-3-methylpentan-2-ol?
The InChIKey is QTCWLQHGSQXQKU-QXXIUIOUSA-N. The full InChI is InChI=1S/C12H19F3O/c1-3-9(2)11(16,12(13,14)15)10-7-5-4-6-8-10/h5,7,9-10,16H,3-4,6,8H2,1-2H3/t9?,10-,11+/m0/s1.
What are the key properties of (2R)-2-[(1R)-cyclohex-2-en-1-yl]-1,1,1-trifluoro-3-methylpentan-2-ol?
(2R)-2-[(1R)-cyclohex-2-en-1-yl]-1,1,1-trifluoro-3-methylpentan-2-ol has a molecular weight of 236.28 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-cyclohex-2-en-1-yl]-1,1,1-trifluoro-3-methylpentan-2-ol is sourced from PubChem (CID 14900078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).