(Z,1S,2S)-5-methyl-1-phenyl-2-(trifluoromethyl)hex-3-en-1-ol

C14H17F3O — CID 10729894

IUPAC(Z,1S,2S)-5-methyl-1-phenyl-2-(trifluoromethyl)hex-3-en-1-ol
SMILESCC(C)/C=C\[C@@H]([C@H](O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H17F3O/c1-10(2)8-9-12(14(15,16)17)13(18)11-6-4-3-5-7-11/h3-10,12-13,18H,1-2H3/b9-8-/t12-,13+/m0/s1
InChIKeyRIYHAOBVXVFOAU-GFUJYOBASA-N
MW258.28 g/mol
LogP4.11
Rot. Bonds4

About (Z,1S,2S)-5-methyl-1-phenyl-2-(trifluoromethyl)hex-3-en-1-ol

(Z,1S,2S)-5-methyl-1-phenyl-2-(trifluoromethyl)hex-3-en-1-ol (PubChem CID 10729894) has the molecular formula C14H17F3O and a molecular weight of 258.28 g/mol. Its IUPAC name is (Z,1S,2S)-5-methyl-1-phenyl-2-(trifluoromethyl)hex-3-en-1-ol.

Molecular Properties

Compound Name(Z,1S,2S)-5-methyl-1-phenyl-2-(trifluoromethyl)hex-3-en-1-ol
PubChem CID10729894
Molecular FormulaC14H17F3O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name(Z,1S,2S)-5-methyl-1-phenyl-2-(trifluoromethyl)hex-3-en-1-ol
SMILESCC(C)/C=C\[C@@H]([C@H](O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H17F3O/c1-10(2)8-9-12(14(15,16)17)13(18)11-6-4-3-5-7-11/h3-10,12-13,18H,1-2H3/b9-8-/t12-,13+/m0/s1
InChIKeyRIYHAOBVXVFOAU-GFUJYOBASA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 54.11
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

(1R,2S,3R,4S)-5,5,5-trifluoro-4-methyl-1-phenylpentane-1,2,3-triol
CID 139042519
(E)-2-methyl-1-phenyl-4-trimethylgermylbut-3-en-1-ol
CID 10707756
(E,1R,2R)-5-methyl-2-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhex-3-en-1-ol
CID 11371321
1,2-diphenylethane-1,2-diol
CID 159073808
(1S)-2,2,2-trifluoro-1-phenylethanol
CID 1472401
(1S)-1,2,2-triphenylethanol
CID 38988933
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
(1S,2S,3R)-2-methyl-1-phenylbutane-1,3-diol
CID 71349785
(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934
(2S)-2-chloro-1-phenylpropan-1-ol
CID 146730708
1-phenylpent-3-ene-1,2-diol
CID 72819461
(1R,2R)-2-[[(Z)-1-hydroxyprop-1-enyl]-methylamino]-1-phenylpropan-1-ol
CID 154709329

Frequently Asked Questions

What is the IUPAC name of (Z,1S,2S)-5-methyl-1-phenyl-2-(trifluoromethyl)hex-3-en-1-ol?
The IUPAC name of (Z,1S,2S)-5-methyl-1-phenyl-2-(trifluoromethyl)hex-3-en-1-ol (CID 10729894) is (Z,1S,2S)-5-methyl-1-phenyl-2-(trifluoromethyl)hex-3-en-1-ol.
What is the SMILES notation for (Z,1S,2S)-5-methyl-1-phenyl-2-(trifluoromethyl)hex-3-en-1-ol?
The canonical SMILES for (Z,1S,2S)-5-methyl-1-phenyl-2-(trifluoromethyl)hex-3-en-1-ol is CC(C)/C=C\[C@@H]([C@H](O)c1ccccc1)C(F)(F)F.
What is the InChIKey of (Z,1S,2S)-5-methyl-1-phenyl-2-(trifluoromethyl)hex-3-en-1-ol?
The InChIKey is RIYHAOBVXVFOAU-GFUJYOBASA-N. The full InChI is InChI=1S/C14H17F3O/c1-10(2)8-9-12(14(15,16)17)13(18)11-6-4-3-5-7-11/h3-10,12-13,18H,1-2H3/b9-8-/t12-,13+/m0/s1.
What are the key properties of (Z,1S,2S)-5-methyl-1-phenyl-2-(trifluoromethyl)hex-3-en-1-ol?
(Z,1S,2S)-5-methyl-1-phenyl-2-(trifluoromethyl)hex-3-en-1-ol has a molecular weight of 258.28 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1S,2S)-5-methyl-1-phenyl-2-(trifluoromethyl)hex-3-en-1-ol is sourced from PubChem (CID 10729894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).