1-phenyl-5-(trifluoromethyl)hex-5-en-3-ol

C13H15F3O — CID 101388257

IUPAC1-phenyl-5-(trifluoromethyl)hex-5-en-3-ol
SMILESC=C(CC(O)CCc1ccccc1)C(F)(F)F
InChIInChI=1S/C13H15F3O/c1-10(13(14,15)16)9-12(17)8-7-11-5-3-2-4-6-11/h2-6,12,17H,1,7-9H2
InChIKeyXGRWBGFMMSYINN-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.49
Rot. Bonds5

About 1-phenyl-5-(trifluoromethyl)hex-5-en-3-ol

1-phenyl-5-(trifluoromethyl)hex-5-en-3-ol (PubChem CID 101388257) has the molecular formula C13H15F3O and a molecular weight of 244.26 g/mol. Its IUPAC name is 1-phenyl-5-(trifluoromethyl)hex-5-en-3-ol.

Molecular Properties

Compound Name1-phenyl-5-(trifluoromethyl)hex-5-en-3-ol
PubChem CID101388257
Molecular FormulaC13H15F3O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name1-phenyl-5-(trifluoromethyl)hex-5-en-3-ol
SMILESC=C(CC(O)CCc1ccccc1)C(F)(F)F
InChIInChI=1S/C13H15F3O/c1-10(13(14,15)16)9-12(17)8-7-11-5-3-2-4-6-11/h2-6,12,17H,1,7-9H2
InChIKeyXGRWBGFMMSYINN-UHFFFAOYSA-N
XLogP3.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.49
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

5-(chloromethyl)-1-phenylhex-5-en-3-ol
CID 15313184
1,1,1-trifluoro-5-phenylpentan-3-ol
CID 61392717
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
(2R)-1-iodo-4-phenylbutan-2-ol
CID 142003029
5-hydroxy-7-phenylhept-1-en-3-one
CID 71376612
(3S)-5-[[tert-butyl(dimethyl)silyl]methyl]-1-phenylhex-5-en-3-ol
CID 11197489
4-hydroxy-1,6-diphenylhexan-2-one
CID 24881473
(3R)-4,4-difluoro-1-phenylhex-5-en-3-ol
CID 102308052
(3S)-4,4-difluoro-1-phenylhex-5-en-3-ol
CID 102308053
N-benzyl-2-(trifluoromethyl)prop-2-en-1-amine
CID 162538544
S-tert-butyl (3S)-3-hydroxy-5-phenylpentanethioate
CID 10956476
1-phenyl-5-(trifluoromethyl)hex-5-en-3-one
CID 162540058

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(trifluoromethyl)hex-5-en-3-ol?
The IUPAC name of 1-phenyl-5-(trifluoromethyl)hex-5-en-3-ol (CID 101388257) is 1-phenyl-5-(trifluoromethyl)hex-5-en-3-ol.
What is the SMILES notation for 1-phenyl-5-(trifluoromethyl)hex-5-en-3-ol?
The canonical SMILES for 1-phenyl-5-(trifluoromethyl)hex-5-en-3-ol is C=C(CC(O)CCc1ccccc1)C(F)(F)F.
What is the InChIKey of 1-phenyl-5-(trifluoromethyl)hex-5-en-3-ol?
The InChIKey is XGRWBGFMMSYINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O/c1-10(13(14,15)16)9-12(17)8-7-11-5-3-2-4-6-11/h2-6,12,17H,1,7-9H2.
What are the key properties of 1-phenyl-5-(trifluoromethyl)hex-5-en-3-ol?
1-phenyl-5-(trifluoromethyl)hex-5-en-3-ol has a molecular weight of 244.26 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(trifluoromethyl)hex-5-en-3-ol is sourced from PubChem (CID 101388257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).