3-[[4-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-ol

C14H15F3O — CID 65177095

IUPAC3-[[4-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-ol
SMILESOC1C=C(Cc2ccc(C(F)(F)F)cc2)CCC1
InChIInChI=1S/C14H15F3O/c15-14(16,17)12-6-4-10(5-7-12)8-11-2-1-3-13(18)9-11/h4-7,9,13,18H,1-3,8H2
InChIKeyZNTLOFOBAHHQNY-UHFFFAOYSA-N
MW256.27 g/mol
LogP3.72
Rot. Bonds2

About 3-[[4-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-ol

3-[[4-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-ol (PubChem CID 65177095) has the molecular formula C14H15F3O and a molecular weight of 256.27 g/mol. Its IUPAC name is 3-[[4-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-[[4-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-ol
PubChem CID65177095
Molecular FormulaC14H15F3O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name3-[[4-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-ol
SMILESOC1C=C(Cc2ccc(C(F)(F)F)cc2)CCC1
InChIInChI=1S/C14H15F3O/c15-14(16,17)12-6-4-10(5-7-12)8-11-2-1-3-13(18)9-11/h4-7,9,13,18H,1-3,8H2
InChIKeyZNTLOFOBAHHQNY-UHFFFAOYSA-N
XLogP3.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 53.72
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

3-[4-(trifluoromethyl)phenyl]cyclohept-2-en-1-ol
CID 107383582
3-[(4-chloro-3-fluorophenyl)methyl]cyclohept-2-en-1-ol
CID 114013021
3-[(3-hydroxyphenyl)methyl]cyclohept-2-en-1-ol
CID 107383454
3-[(4-tert-butylphenyl)methyl]cyclohex-2-en-1-amine
CID 65171747
3-[[4-(trifluoromethyl)phenyl]methyl]-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide
CID 171973710
3-[[3-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-amine
CID 65171795
(1R)-3-ethylcyclohex-2-en-1-ol
CID 11252010
3-[(5-bromo-3-pyridinyl)methyl]cyclohex-2-en-1-ol
CID 104812157
3-[(2,5-difluorophenyl)methyl]cyclohept-2-en-1-ol
CID 107383366
(1R)-3-propylcyclohex-2-en-1-ol
CID 101101480
1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene
CID 67129674
2-[[4-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroisoindol-4-ol
CID 83210233

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-ol?
The IUPAC name of 3-[[4-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-ol (CID 65177095) is 3-[[4-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-ol.
What is the SMILES notation for 3-[[4-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-ol?
The canonical SMILES for 3-[[4-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-ol is OC1C=C(Cc2ccc(C(F)(F)F)cc2)CCC1.
What is the InChIKey of 3-[[4-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-ol?
The InChIKey is ZNTLOFOBAHHQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O/c15-14(16,17)12-6-4-10(5-7-12)8-11-2-1-3-13(18)9-11/h4-7,9,13,18H,1-3,8H2.
What are the key properties of 3-[[4-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-ol?
3-[[4-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-ol has a molecular weight of 256.27 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 65177095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).