3-(difluoromethylidene)-2-methyl-5-phenylhexan-1-ol

C14H18F2O — CID 101081484

IUPAC3-(difluoromethylidene)-2-methyl-5-phenylhexan-1-ol
SMILESCC(CO)C(CC(C)c1ccccc1)=C(F)F
InChIInChI=1S/C14H18F2O/c1-10(12-6-4-3-5-7-12)8-13(14(15)16)11(2)9-17/h3-7,10-11,17H,8-9H2,1-2H3
InChIKeyZWOPYSBVHNWCAE-UHFFFAOYSA-N
MW240.29 g/mol
LogP3.96
Rot. Bonds5

About 3-(difluoromethylidene)-2-methyl-5-phenylhexan-1-ol

3-(difluoromethylidene)-2-methyl-5-phenylhexan-1-ol (PubChem CID 101081484) has the molecular formula C14H18F2O and a molecular weight of 240.29 g/mol. Its IUPAC name is 3-(difluoromethylidene)-2-methyl-5-phenylhexan-1-ol.

Molecular Properties

Compound Name3-(difluoromethylidene)-2-methyl-5-phenylhexan-1-ol
PubChem CID101081484
Molecular FormulaC14H18F2O
Molecular Weight240.29 g/mol
Exact Mass240.13
IUPAC Name3-(difluoromethylidene)-2-methyl-5-phenylhexan-1-ol
SMILESCC(CO)C(CC(C)c1ccccc1)=C(F)F
InChIInChI=1S/C14H18F2O/c1-10(12-6-4-3-5-7-12)8-13(14(15)16)11(2)9-17/h3-7,10-11,17H,8-9H2,1-2H3
InChIKeyZWOPYSBVHNWCAE-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;(2S)-2-phenylpropan-1-ol
CID 142206535
ethane;(2R)-2-phenylpropan-1-ol
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CID 6950118
(2R)-3-[(2S)-2-phenylpropyl]sulfanylpropane-1,2-diol
CID 97087748
(1R,4S)-1,5-dihydroxy-4-methyl-1-phenylpentan-3-one
CID 139089580
(4R)-2,2-dimethyl-4-phenylpentan-1-ol
CID 135189920
(4S)-2-methyl-4-phenylpentan-2-ol
CID 129361688
(1Z)-N-hydroxy-3-phenylbutanimidoyl chloride
CID 106892063
bis(2-aminoacetic acid);3-phenylbutanoic acid
CID 19068405
3-phenylbutane-1,1-diol
CID 18417931
2,3-dimethyl-4-oxo-6-phenylheptanoic acid
CID 79414107
1,4-diphenylpentane-1,2-dione
CID 141286751

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylidene)-2-methyl-5-phenylhexan-1-ol?
The IUPAC name of 3-(difluoromethylidene)-2-methyl-5-phenylhexan-1-ol (CID 101081484) is 3-(difluoromethylidene)-2-methyl-5-phenylhexan-1-ol.
What is the SMILES notation for 3-(difluoromethylidene)-2-methyl-5-phenylhexan-1-ol?
The canonical SMILES for 3-(difluoromethylidene)-2-methyl-5-phenylhexan-1-ol is CC(CO)C(CC(C)c1ccccc1)=C(F)F.
What is the InChIKey of 3-(difluoromethylidene)-2-methyl-5-phenylhexan-1-ol?
The InChIKey is ZWOPYSBVHNWCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O/c1-10(12-6-4-3-5-7-12)8-13(14(15)16)11(2)9-17/h3-7,10-11,17H,8-9H2,1-2H3.
What are the key properties of 3-(difluoromethylidene)-2-methyl-5-phenylhexan-1-ol?
3-(difluoromethylidene)-2-methyl-5-phenylhexan-1-ol has a molecular weight of 240.29 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylidene)-2-methyl-5-phenylhexan-1-ol is sourced from PubChem (CID 101081484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).