(3S)-4,4-difluoro-1-phenylhex-5-en-3-ol

C12H14F2O — CID 102308053

IUPAC(3S)-4,4-difluoro-1-phenylhex-5-en-3-ol
SMILESC=CC(F)(F)[C@@H](O)CCc1ccccc1
InChIInChI=1S/C12H14F2O/c1-2-12(13,14)11(15)9-8-10-6-4-3-5-7-10/h2-7,11,15H,1,8-9H2/t11-/m0/s1
InChIKeyIMKUPPHOEJEDCM-NSHDSACASA-N
MW212.24 g/mol
LogP2.80
Rot. Bonds5

About (3S)-4,4-difluoro-1-phenylhex-5-en-3-ol

(3S)-4,4-difluoro-1-phenylhex-5-en-3-ol (PubChem CID 102308053) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is (3S)-4,4-difluoro-1-phenylhex-5-en-3-ol.

Molecular Properties

Compound Name(3S)-4,4-difluoro-1-phenylhex-5-en-3-ol
PubChem CID102308053
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(3S)-4,4-difluoro-1-phenylhex-5-en-3-ol
SMILESC=CC(F)(F)[C@@H](O)CCc1ccccc1
InChIInChI=1S/C12H14F2O/c1-2-12(13,14)11(15)9-8-10-6-4-3-5-7-10/h2-7,11,15H,1,8-9H2/t11-/m0/s1
InChIKeyIMKUPPHOEJEDCM-NSHDSACASA-N
XLogP2.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.80
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

(3R)-4,4-difluoro-1-phenylhex-5-en-3-ol
CID 102308052
(3R)-4,4-dimethyl-1-phenylpentan-3-ol
CID 53244616
3-cyclohexyl-6-phenylhex-1-ene-3,4-diol
CID 85416610
1,1,1-trifluoro-5-phenylpentan-3-ol
CID 61392717
(3S)-4-methyl-1-phenylhex-5-en-3-ol
CID 177392866
(4S)-4-methyl-1-phenylhex-5-en-3-ol
CID 12938739
1-phenyl-5-(trifluoromethyl)hex-5-en-3-ol
CID 101388257
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
(E)-1,1,1-trifluoro-5-hydroxy-7-phenylhept-3-en-2-one
CID 10015355
methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxy-3-phenylpropyl]pent-4-enoate
CID 101412852
ethene;3-methylbutylbenzene
CID 145421013

Frequently Asked Questions

What is the IUPAC name of (3S)-4,4-difluoro-1-phenylhex-5-en-3-ol?
The IUPAC name of (3S)-4,4-difluoro-1-phenylhex-5-en-3-ol (CID 102308053) is (3S)-4,4-difluoro-1-phenylhex-5-en-3-ol.
What is the SMILES notation for (3S)-4,4-difluoro-1-phenylhex-5-en-3-ol?
The canonical SMILES for (3S)-4,4-difluoro-1-phenylhex-5-en-3-ol is C=CC(F)(F)[C@@H](O)CCc1ccccc1.
What is the InChIKey of (3S)-4,4-difluoro-1-phenylhex-5-en-3-ol?
The InChIKey is IMKUPPHOEJEDCM-NSHDSACASA-N. The full InChI is InChI=1S/C12H14F2O/c1-2-12(13,14)11(15)9-8-10-6-4-3-5-7-10/h2-7,11,15H,1,8-9H2/t11-/m0/s1.
What are the key properties of (3S)-4,4-difluoro-1-phenylhex-5-en-3-ol?
(3S)-4,4-difluoro-1-phenylhex-5-en-3-ol has a molecular weight of 212.24 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4,4-difluoro-1-phenylhex-5-en-3-ol is sourced from PubChem (CID 102308053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).