1,1-bis(3,4-difluorophenyl)pentan-3-one

C17H14F4O — CID 142067469

IUPAC1,1-bis(3,4-difluorophenyl)pentan-3-one
SMILESCCC(=O)CC(c1ccc(F)c(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H14F4O/c1-2-12(22)9-13(10-3-5-14(18)16(20)7-10)11-4-6-15(19)17(21)8-11/h3-8,13H,2,9H2,1H3
InChIKeyRBOXNWYHHZMSSA-UHFFFAOYSA-N
MW310.29 g/mol
LogP4.74
Rot. Bonds5

About 1,1-bis(3,4-difluorophenyl)pentan-3-one

1,1-bis(3,4-difluorophenyl)pentan-3-one (PubChem CID 142067469) has the molecular formula C17H14F4O and a molecular weight of 310.29 g/mol. Its IUPAC name is 1,1-bis(3,4-difluorophenyl)pentan-3-one.

Molecular Properties

Compound Name1,1-bis(3,4-difluorophenyl)pentan-3-one
PubChem CID142067469
Molecular FormulaC17H14F4O
Molecular Weight310.29 g/mol
Exact Mass310.10
IUPAC Name1,1-bis(3,4-difluorophenyl)pentan-3-one
SMILESCCC(=O)CC(c1ccc(F)c(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H14F4O/c1-2-12(22)9-13(10-3-5-14(18)16(20)7-10)11-4-6-15(19)17(21)8-11/h3-8,13H,2,9H2,1H3
InChIKeyRBOXNWYHHZMSSA-UHFFFAOYSA-N
XLogP4.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-1-(3,4-difluorophenyl)pentan-3-one
CID 58302963
6-(3,4-difluorophenyl)octan-3-one
CID 83936173
2-(3,4-difluorophenyl)pentan-3-one
CID 79307864
1-(3,4-difluorophenyl)-1-phenylbutan-2-one
CID 167542388
3-(3,4-difluorophenyl)-3-(methylamino)propanoic acid
CID 65236492
2,2-bis(3,4-difluorophenyl)acetic acid
CID 20677452
4-amino-3-(3,4-difluorophenyl)pentanoic acid
CID 66097703
(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
CID 159931966
(1R)-1-(3,4-difluorophenyl)propan-1-ol
CID 58995112
(1S)-1-(4-fluorophenyl)-1-hydroxypentan-3-one
CID 174650896
ethyl (3S)-3-amino-3-(3,4-difluorophenyl)propanoate;hydrochloride
CID 171229658
ethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate
CID 94365189

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(3,4-difluorophenyl)pentan-3-one?
The IUPAC name of 1,1-bis(3,4-difluorophenyl)pentan-3-one (CID 142067469) is 1,1-bis(3,4-difluorophenyl)pentan-3-one.
What is the SMILES notation for 1,1-bis(3,4-difluorophenyl)pentan-3-one?
The canonical SMILES for 1,1-bis(3,4-difluorophenyl)pentan-3-one is CCC(=O)CC(c1ccc(F)c(F)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 1,1-bis(3,4-difluorophenyl)pentan-3-one?
The InChIKey is RBOXNWYHHZMSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4O/c1-2-12(22)9-13(10-3-5-14(18)16(20)7-10)11-4-6-15(19)17(21)8-11/h3-8,13H,2,9H2,1H3.
What are the key properties of 1,1-bis(3,4-difluorophenyl)pentan-3-one?
1,1-bis(3,4-difluorophenyl)pentan-3-one has a molecular weight of 310.29 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(3,4-difluorophenyl)pentan-3-one is sourced from PubChem (CID 142067469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).