1-(2,4-difluorophenyl)hept-6-en-2-ol

C13H16F2O — CID 64561193

IUPAC1-(2,4-difluorophenyl)hept-6-en-2-ol
SMILESC=CCCCC(O)Cc1ccc(F)cc1F
InChIInChI=1S/C13H16F2O/c1-2-3-4-5-12(16)8-10-6-7-11(14)9-13(10)15/h2,6-7,9,12,16H,1,3-5,8H2
InChIKeyWWKZOLGZPXGGHQ-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.22
Rot. Bonds6

About 1-(2,4-difluorophenyl)hept-6-en-2-ol

1-(2,4-difluorophenyl)hept-6-en-2-ol (PubChem CID 64561193) has the molecular formula C13H16F2O and a molecular weight of 226.27 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)hept-6-en-2-ol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)hept-6-en-2-ol
PubChem CID64561193
Molecular FormulaC13H16F2O
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name1-(2,4-difluorophenyl)hept-6-en-2-ol
SMILESC=CCCCC(O)Cc1ccc(F)cc1F
InChIInChI=1S/C13H16F2O/c1-2-3-4-5-12(16)8-10-6-7-11(14)9-13(10)15/h2,6-7,9,12,16H,1,3-5,8H2
InChIKeyWWKZOLGZPXGGHQ-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 64559073
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CID 63902016
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CID 23056492
1-(2-bromo-4-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-ol
CID 64561385
1-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]hex-5-en-2-ol
CID 42837231
1-(2,4-difluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920034
1-(4-bromo-2-fluorophenyl)pent-4-en-2-ol
CID 116659912
(4S)-1-(5-fluoro-2-methoxyphenyl)oct-7-en-4-ol
CID 129368321
1-(2,4-difluorophenyl)-3-(oxan-4-yl)propan-2-ol
CID 64560809
3-(2,4-difluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 62962606
1-(2,5-difluorophenyl)octan-2-ol
CID 63901614
1-(2,4-difluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
CID 66071849

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)hept-6-en-2-ol?
The IUPAC name of 1-(2,4-difluorophenyl)hept-6-en-2-ol (CID 64561193) is 1-(2,4-difluorophenyl)hept-6-en-2-ol.
What is the SMILES notation for 1-(2,4-difluorophenyl)hept-6-en-2-ol?
The canonical SMILES for 1-(2,4-difluorophenyl)hept-6-en-2-ol is C=CCCCC(O)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)hept-6-en-2-ol?
The InChIKey is WWKZOLGZPXGGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O/c1-2-3-4-5-12(16)8-10-6-7-11(14)9-13(10)15/h2,6-7,9,12,16H,1,3-5,8H2.
What are the key properties of 1-(2,4-difluorophenyl)hept-6-en-2-ol?
1-(2,4-difluorophenyl)hept-6-en-2-ol has a molecular weight of 226.27 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)hept-6-en-2-ol is sourced from PubChem (CID 64561193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).