4-(difluoromethylidene)-6-phenylhexan-2-ol

C13H16F2O — CID 134988046

IUPAC4-(difluoromethylidene)-6-phenylhexan-2-ol
SMILESCC(O)CC(CCc1ccccc1)=C(F)F
InChIInChI=1S/C13H16F2O/c1-10(16)9-12(13(14)15)8-7-11-5-3-2-4-6-11/h2-6,10,16H,7-9H2,1H3
InChIKeyJNROVZLUUCJAAO-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.54
Rot. Bonds5

About 4-(difluoromethylidene)-6-phenylhexan-2-ol

4-(difluoromethylidene)-6-phenylhexan-2-ol (PubChem CID 134988046) has the molecular formula C13H16F2O and a molecular weight of 226.27 g/mol. Its IUPAC name is 4-(difluoromethylidene)-6-phenylhexan-2-ol.

Molecular Properties

Compound Name4-(difluoromethylidene)-6-phenylhexan-2-ol
PubChem CID134988046
Molecular FormulaC13H16F2O
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name4-(difluoromethylidene)-6-phenylhexan-2-ol
SMILESCC(O)CC(CCc1ccccc1)=C(F)F
InChIInChI=1S/C13H16F2O/c1-10(16)9-12(13(14)15)8-7-11-5-3-2-4-6-11/h2-6,10,16H,7-9H2,1H3
InChIKeyJNROVZLUUCJAAO-UHFFFAOYSA-N
XLogP3.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(difluoromethylidene)-5-phenylpentyl]-3-methylnaphthalene
CID 24939089
butane-2,3-diol;2-phenylethanol
CID 175116943
(2R,4S)-6-phenylhexane-2,4-diol
CID 101030295
(3R)-2,5-dimethyl-7-phenylhept-4-en-3-ol
CID 71428200
2-methyl-4-phenylbutane-1,1-diol
CID 20647936
(2R)-2-deuterio-4-phenylbutan-2-ol
CID 162415693
4-bromo-1-phenylpentan-3-one
CID 121216753
(E)-2-benzyl-3-(2-hydroxypropyl)but-2-enedioic acid
CID 141142472
6-amino-5-methyl-1-phenylhexan-3-one
CID 116596581
5-fluoro-1-phenylheptan-3-one
CID 134845186
sodium;hydride;1-phenylpropan-2-ol
CID 175039142
6-phenyl-3-propan-2-ylhexan-2-ol
CID 62914612

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylidene)-6-phenylhexan-2-ol?
The IUPAC name of 4-(difluoromethylidene)-6-phenylhexan-2-ol (CID 134988046) is 4-(difluoromethylidene)-6-phenylhexan-2-ol.
What is the SMILES notation for 4-(difluoromethylidene)-6-phenylhexan-2-ol?
The canonical SMILES for 4-(difluoromethylidene)-6-phenylhexan-2-ol is CC(O)CC(CCc1ccccc1)=C(F)F.
What is the InChIKey of 4-(difluoromethylidene)-6-phenylhexan-2-ol?
The InChIKey is JNROVZLUUCJAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O/c1-10(16)9-12(13(14)15)8-7-11-5-3-2-4-6-11/h2-6,10,16H,7-9H2,1H3.
What are the key properties of 4-(difluoromethylidene)-6-phenylhexan-2-ol?
4-(difluoromethylidene)-6-phenylhexan-2-ol has a molecular weight of 226.27 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylidene)-6-phenylhexan-2-ol is sourced from PubChem (CID 134988046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).