6,6-difluoro-6-phenylhexan-3-one

C12H14F2O — CID 116789877

IUPAC6,6-difluoro-6-phenylhexan-3-one
SMILESCCC(=O)CCC(F)(F)c1ccccc1
InChIInChI=1S/C12H14F2O/c1-2-11(15)8-9-12(13,14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyMJMRYHYZDDXUHY-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.54
Rot. Bonds5

About 6,6-difluoro-6-phenylhexan-3-one

6,6-difluoro-6-phenylhexan-3-one (PubChem CID 116789877) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is 6,6-difluoro-6-phenylhexan-3-one.

Molecular Properties

Compound Name6,6-difluoro-6-phenylhexan-3-one
PubChem CID116789877
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name6,6-difluoro-6-phenylhexan-3-one
SMILESCCC(=O)CCC(F)(F)c1ccccc1
InChIInChI=1S/C12H14F2O/c1-2-11(15)8-9-12(13,14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyMJMRYHYZDDXUHY-UHFFFAOYSA-N
XLogP3.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 5,5-difluoro-5-phenylpentanoate
CID 132538459
6,6-difluoro-6-phenylhexan-3-ol
CID 116790314
1,1-difluoroheptylbenzene
CID 12070547
3,3-difluoro-3-phenyl-N-propylpropan-1-amine
CID 116790434
1-[4-[fluoro(diphenyl)methyl]piperazin-1-yl]undecane-1,9-dione
CID 167573618
(E)-3-[4-(1,1-difluorobutyl)phenyl]prop-2-enoic acid
CID 116992184
methanamine;1-phenylpentan-3-one
CID 167492251
6-oxo-5,5-diphenyloctanoic acid
CID 19981505
2-[4-(1,1-difluorobutyl)phenyl]acetic acid
CID 116992158
2-ethyl-5,5,5-trifluoro-2-phenylpentanoic acid
CID 79426124
2,2-diphenylpentan-3-one
CID 70793023
1,1-dihydroxy-1-phenylbutan-2-one
CID 162740160

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-6-phenylhexan-3-one?
The IUPAC name of 6,6-difluoro-6-phenylhexan-3-one (CID 116789877) is 6,6-difluoro-6-phenylhexan-3-one.
What is the SMILES notation for 6,6-difluoro-6-phenylhexan-3-one?
The canonical SMILES for 6,6-difluoro-6-phenylhexan-3-one is CCC(=O)CCC(F)(F)c1ccccc1.
What is the InChIKey of 6,6-difluoro-6-phenylhexan-3-one?
The InChIKey is MJMRYHYZDDXUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c1-2-11(15)8-9-12(13,14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3.
What are the key properties of 6,6-difluoro-6-phenylhexan-3-one?
6,6-difluoro-6-phenylhexan-3-one has a molecular weight of 212.24 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-6-phenylhexan-3-one is sourced from PubChem (CID 116789877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).