1-(3,5-difluorophenyl)hexan-1-ol

C12H16F2O — CID 62608438

IUPAC1-(3,5-difluorophenyl)hexan-1-ol
SMILESCCCCCC(O)c1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2O/c1-2-3-4-5-12(15)9-6-10(13)8-11(14)7-9/h6-8,12,15H,2-5H2,1H3
InChIKeyBCFINVMKOVWWJF-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.58
Rot. Bonds5

About 1-(3,5-difluorophenyl)hexan-1-ol

1-(3,5-difluorophenyl)hexan-1-ol (PubChem CID 62608438) has the molecular formula C12H16F2O and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)hexan-1-ol.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)hexan-1-ol
PubChem CID62608438
Molecular FormulaC12H16F2O
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name1-(3,5-difluorophenyl)hexan-1-ol
SMILESCCCCCC(O)c1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2O/c1-2-3-4-5-12(15)9-6-10(13)8-11(14)7-9/h6-8,12,15H,2-5H2,1H3
InChIKeyBCFINVMKOVWWJF-UHFFFAOYSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluorophenyl)hexan-1-ol
CID 62607026
1-(3,5-difluorophenyl)hexan-1-amine
CID 62605213
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
1-(3,5-difluorophenyl)hexylhydrazine
CID 105207948
1-(3,5-difluorophenyl)-4-ethylsulfonylbutan-1-ol
CID 65095439
1-amino-2-(3,5-difluorophenyl)undecan-3-ol
CID 65427983
1-(3,5-dichlorophenyl)hexan-1-ol
CID 65149742
1-(4-fluoro-2,6-dimethylphenyl)heptan-1-ol
CID 106879533
(1R)-3-chloro-1-(3,5-difluorophenyl)propan-1-ol
CID 146430638
1-(3,5-difluorophenyl)-3-methoxypropan-1-ol
CID 62606172
1-(4-bromo-3-fluorophenyl)nonan-1-ol
CID 81436906
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 97294442

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)hexan-1-ol?
The IUPAC name of 1-(3,5-difluorophenyl)hexan-1-ol (CID 62608438) is 1-(3,5-difluorophenyl)hexan-1-ol.
What is the SMILES notation for 1-(3,5-difluorophenyl)hexan-1-ol?
The canonical SMILES for 1-(3,5-difluorophenyl)hexan-1-ol is CCCCCC(O)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)hexan-1-ol?
The InChIKey is BCFINVMKOVWWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O/c1-2-3-4-5-12(15)9-6-10(13)8-11(14)7-9/h6-8,12,15H,2-5H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)hexan-1-ol?
1-(3,5-difluorophenyl)hexan-1-ol has a molecular weight of 214.26 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)hexan-1-ol is sourced from PubChem (CID 62608438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).