1-(3,5-difluorophenyl)butan-2-one

C10H10F2O — CID 61496651

IUPAC1-(3,5-difluorophenyl)butan-2-one
SMILESCCC(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C10H10F2O/c1-2-10(13)5-7-3-8(11)6-9(12)4-7/h3-4,6H,2,5H2,1H3
InChIKeyWAZXLYMAGLYEIM-UHFFFAOYSA-N
MW184.19 g/mol
LogP2.49
Rot. Bonds3

About 1-(3,5-difluorophenyl)butan-2-one

1-(3,5-difluorophenyl)butan-2-one (PubChem CID 61496651) has the molecular formula C10H10F2O and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)butan-2-one.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)butan-2-one
PubChem CID61496651
Molecular FormulaC10H10F2O
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name1-(3,5-difluorophenyl)butan-2-one
SMILESCCC(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C10H10F2O/c1-2-10(13)5-7-3-8(11)6-9(12)4-7/h3-4,6H,2,5H2,1H3
InChIKeyWAZXLYMAGLYEIM-UHFFFAOYSA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-difluorophenyl)-3-ethoxypropan-2-one
CID 79566603
1-bromo-3-(3,5-difluorophenyl)propan-2-one
CID 53403276
1-(3,5-difluorophenyl)-5-methylhex-5-en-2-one
CID 114473505
1-(3,5-difluorophenyl)-3-phenylpropan-2-one
CID 61496724
1-(3,5-difluorophenyl)-5-methylhexan-2-one
CID 62619889
1-tert-butylsulfanyl-3-(3,5-difluorophenyl)propan-2-one
CID 105405276
1-(3,5-difluorophenyl)-5-(propan-2-ylamino)pentan-2-one
CID 105411897
1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 62620261
1-(3,5-difluorophenyl)-3,3-dimethylbutan-2-one
CID 59128716
1-(3,5-difluorophenyl)-3-(4-iodophenyl)propan-2-one
CID 65476457
1-(4-aminophenyl)-3-(3,5-difluorophenyl)propan-2-one
CID 105411862
4-(tert-butylamino)-1-(3,5-difluorophenyl)butan-2-one
CID 105411896

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)butan-2-one?
The IUPAC name of 1-(3,5-difluorophenyl)butan-2-one (CID 61496651) is 1-(3,5-difluorophenyl)butan-2-one.
What is the SMILES notation for 1-(3,5-difluorophenyl)butan-2-one?
The canonical SMILES for 1-(3,5-difluorophenyl)butan-2-one is CCC(=O)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)butan-2-one?
The InChIKey is WAZXLYMAGLYEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O/c1-2-10(13)5-7-3-8(11)6-9(12)4-7/h3-4,6H,2,5H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)butan-2-one?
1-(3,5-difluorophenyl)butan-2-one has a molecular weight of 184.19 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)butan-2-one is sourced from PubChem (CID 61496651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).