1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-ol

C12H19F3O — CID 105102218

IUPAC1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-ol
SMILESC=CCCC(O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H19F3O/c1-2-3-7-11(16)9-5-4-6-10(8-9)12(13,14)15/h2,9-11,16H,1,3-8H2
InChIKeyCXEZKUMJRQCGOX-UHFFFAOYSA-N
MW236.28 g/mol
LogP3.68
Rot. Bonds4

About 1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-ol

1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-ol (PubChem CID 105102218) has the molecular formula C12H19F3O and a molecular weight of 236.28 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-ol.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-ol
PubChem CID105102218
Molecular FormulaC12H19F3O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-ol
SMILESC=CCCC(O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H19F3O/c1-2-3-7-11(16)9-5-4-6-10(8-9)12(13,14)15/h2,9-11,16H,1,3-8H2
InChIKeyCXEZKUMJRQCGOX-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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'}

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Related Compounds

1-[3-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine
CID 105153206
(1R)-1-cyclopropylpent-4-en-1-ol
CID 96581912
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine
CID 105153083
1-cycloheptylhex-5-en-1-ol
CID 65399153
1-(4-ethylcyclohexyl)pent-4-en-1-ol
CID 65392687
(3S)-1-propan-2-yl-3-(trifluoromethyl)cyclohexane
CID 146632246
3-amino-1,1,1-trifluoro-3-[3-(trifluoromethyl)cyclohexyl]propan-2-ol
CID 87873280
3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105163124
2-(furan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
CID 105122947
1-cyclobutyl-5,5,5-trifluoropentan-1-ol
CID 115515676
2-[3-(trifluoromethyl)cyclohexyl]propanedioic acid
CID 22715203
1-cyclohexyl-3-ethenylhept-6-en-1-ol
CID 11977328

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-ol?
The IUPAC name of 1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-ol (CID 105102218) is 1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-ol.
What is the SMILES notation for 1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-ol?
The canonical SMILES for 1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-ol is C=CCCC(O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-ol?
The InChIKey is CXEZKUMJRQCGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3O/c1-2-3-7-11(16)9-5-4-6-10(8-9)12(13,14)15/h2,9-11,16H,1,3-8H2.
What are the key properties of 1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-ol?
1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-ol has a molecular weight of 236.28 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-ol is sourced from PubChem (CID 105102218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).