3,3,4,5,5,5-hexafluoro-2-methyl-1-phenylpentan-1-one

C12H10F6O — CID 139779383

IUPAC3,3,4,5,5,5-hexafluoro-2-methyl-1-phenylpentan-1-one
SMILESCC(C(=O)c1ccccc1)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C12H10F6O/c1-7(9(19)8-5-3-2-4-6-8)11(14,15)10(13)12(16,17)18/h2-7,10H,1H3
InChIKeyVQNKBVUFZQVPKT-UHFFFAOYSA-N
MW284.20 g/mol
LogP4.04
Rot. Bonds4

About 3,3,4,5,5,5-hexafluoro-2-methyl-1-phenylpentan-1-one

3,3,4,5,5,5-hexafluoro-2-methyl-1-phenylpentan-1-one (PubChem CID 139779383) has the molecular formula C12H10F6O and a molecular weight of 284.20 g/mol. Its IUPAC name is 3,3,4,5,5,5-hexafluoro-2-methyl-1-phenylpentan-1-one.

Molecular Properties

Compound Name3,3,4,5,5,5-hexafluoro-2-methyl-1-phenylpentan-1-one
PubChem CID139779383
Molecular FormulaC12H10F6O
Molecular Weight284.20 g/mol
Exact Mass284.06
IUPAC Name3,3,4,5,5,5-hexafluoro-2-methyl-1-phenylpentan-1-one
SMILESCC(C(=O)c1ccccc1)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C12H10F6O/c1-7(9(19)8-5-3-2-4-6-8)11(14,15)10(13)12(16,17)18/h2-7,10H,1H3
InChIKeyVQNKBVUFZQVPKT-UHFFFAOYSA-N
XLogP4.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3,4,5,5,5-hexafluoro-2-methyl-1-phenylpentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R)-4,4,4-trifluoro-3-hydroxy-2-methyl-1-phenylbutan-1-one
CID 101153138
5,5,5-trifluoro-2,4-dimethyl-1-phenylpentan-1-one
CID 54076054
4,4,4-trifluoro-2,3-dihydroxy-1-phenylbutan-1-one
CID 20709916
trifluoromethyl 2-methyl-3-oxo-3-phenylpropanoate
CID 70173692
(2R)-2-chloro-2-fluoro-1-phenylethanone
CID 93494146
2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 104845048
1-phenyl-2-[4-(trifluoromethyl)phenoxy]propan-1-one
CID 60624061
ethyl 2,2,3-trimethyl-4-oxo-4-phenylbutanoate
CID 101353023
2-(1-fluoroethyl)-1,2,3-triphenylpropane-1,3-dione
CID 175526561
1-(4-chlorophenyl)-3,3-difluoro-2-methylbutan-1-one
CID 130605207
2-fluoro-3-methyl-1-phenylpentan-1-one
CID 10965397
2,2-difluoro-3-hydroxy-4-methyl-1-phenylpentan-1-one
CID 10513528

Frequently Asked Questions

What is the IUPAC name of 3,3,4,5,5,5-hexafluoro-2-methyl-1-phenylpentan-1-one?
The IUPAC name of 3,3,4,5,5,5-hexafluoro-2-methyl-1-phenylpentan-1-one (CID 139779383) is 3,3,4,5,5,5-hexafluoro-2-methyl-1-phenylpentan-1-one.
What is the SMILES notation for 3,3,4,5,5,5-hexafluoro-2-methyl-1-phenylpentan-1-one?
The canonical SMILES for 3,3,4,5,5,5-hexafluoro-2-methyl-1-phenylpentan-1-one is CC(C(=O)c1ccccc1)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 3,3,4,5,5,5-hexafluoro-2-methyl-1-phenylpentan-1-one?
The InChIKey is VQNKBVUFZQVPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F6O/c1-7(9(19)8-5-3-2-4-6-8)11(14,15)10(13)12(16,17)18/h2-7,10H,1H3.
What are the key properties of 3,3,4,5,5,5-hexafluoro-2-methyl-1-phenylpentan-1-one?
3,3,4,5,5,5-hexafluoro-2-methyl-1-phenylpentan-1-one has a molecular weight of 284.20 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,5,5,5-hexafluoro-2-methyl-1-phenylpentan-1-one is sourced from PubChem (CID 139779383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).