3-phenyl-1-(trifluoromethyl)cyclohex-3-en-1-ol

C13H13F3O — CID 14489464

IUPAC3-phenyl-1-(trifluoromethyl)cyclohex-3-en-1-ol
SMILESOC1(C(F)(F)F)CCC=C(c2ccccc2)C1
InChIInChI=1S/C13H13F3O/c14-13(15,16)12(17)8-4-7-11(9-12)10-5-2-1-3-6-10/h1-3,5-7,17H,4,8-9H2
InChIKeyLZVGWFPNBNQWSZ-UHFFFAOYSA-N
MW242.24 g/mol
LogP3.55
Rot. Bonds1

About 3-phenyl-1-(trifluoromethyl)cyclohex-3-en-1-ol

3-phenyl-1-(trifluoromethyl)cyclohex-3-en-1-ol (PubChem CID 14489464) has the molecular formula C13H13F3O and a molecular weight of 242.24 g/mol. Its IUPAC name is 3-phenyl-1-(trifluoromethyl)cyclohex-3-en-1-ol.

Molecular Properties

Compound Name3-phenyl-1-(trifluoromethyl)cyclohex-3-en-1-ol
PubChem CID14489464
Molecular FormulaC13H13F3O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name3-phenyl-1-(trifluoromethyl)cyclohex-3-en-1-ol
SMILESOC1(C(F)(F)F)CCC=C(c2ccccc2)C1
InChIInChI=1S/C13H13F3O/c14-13(15,16)12(17)8-4-7-11(9-12)10-5-2-1-3-6-10/h1-3,5-7,17H,4,8-9H2
InChIKeyLZVGWFPNBNQWSZ-UHFFFAOYSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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5-amino-2-(trifluoromethyl)-3,4-dihydro-1H-naphthalene-2,6-diol
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4-phenyl-5,5-bis(trifluoromethyl)cyclohex-3-ene-1,1-dicarboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(trifluoromethyl)cyclohex-3-en-1-ol?
The IUPAC name of 3-phenyl-1-(trifluoromethyl)cyclohex-3-en-1-ol (CID 14489464) is 3-phenyl-1-(trifluoromethyl)cyclohex-3-en-1-ol.
What is the SMILES notation for 3-phenyl-1-(trifluoromethyl)cyclohex-3-en-1-ol?
The canonical SMILES for 3-phenyl-1-(trifluoromethyl)cyclohex-3-en-1-ol is OC1(C(F)(F)F)CCC=C(c2ccccc2)C1.
What is the InChIKey of 3-phenyl-1-(trifluoromethyl)cyclohex-3-en-1-ol?
The InChIKey is LZVGWFPNBNQWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O/c14-13(15,16)12(17)8-4-7-11(9-12)10-5-2-1-3-6-10/h1-3,5-7,17H,4,8-9H2.
What are the key properties of 3-phenyl-1-(trifluoromethyl)cyclohex-3-en-1-ol?
3-phenyl-1-(trifluoromethyl)cyclohex-3-en-1-ol has a molecular weight of 242.24 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(trifluoromethyl)cyclohex-3-en-1-ol is sourced from PubChem (CID 14489464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).