1-[3-(difluoromethyl)phenyl]propan-2-one;fluoromethane

C11H13F3O — CID 142914280

IUPAC1-[3-(difluoromethyl)phenyl]propan-2-one;fluoromethane
SMILESCC(=O)Cc1cccc(C(F)F)c1.CF
InChIInChI=1S/C10H10F2O.CH3F/c1-7(13)5-8-3-2-4-9(6-8)10(11)12;1-2/h2-4,6,10H,5H2,1H3;1H3
InChIKeyACTJYCXPPFQZMF-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.34
Rot. Bonds3

About 1-[3-(difluoromethyl)phenyl]propan-2-one;fluoromethane

1-[3-(difluoromethyl)phenyl]propan-2-one;fluoromethane (PubChem CID 142914280) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)phenyl]propan-2-one;fluoromethane.

Molecular Properties

Compound Name1-[3-(difluoromethyl)phenyl]propan-2-one;fluoromethane
PubChem CID142914280
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name1-[3-(difluoromethyl)phenyl]propan-2-one;fluoromethane
SMILESCC(=O)Cc1cccc(C(F)F)c1.CF
InChIInChI=1S/C10H10F2O.CH3F/c1-7(13)5-8-3-2-4-9(6-8)10(11)12;1-2/h2-4,6,10H,5H2,1H3;1H3
InChIKeyACTJYCXPPFQZMF-UHFFFAOYSA-N
XLogP3.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(1-fluoroethyl)phenyl]propan-2-one
CID 84657401
1-bromo-3-[3-(difluoromethyl)phenyl]propan-2-one
CID 134616468
1-[3-(difluoromethyl)phenyl]propan-2-ol
CID 117280458
1-[3-(chloromethyl)-5-(difluoromethyl)phenyl]propan-2-one
CID 131413916
1-[4-(difluoromethyl)-2-methylsulfanylphenyl]propan-2-one
CID 166641045
1-(3-chlorophenyl)propan-2-one
CID 2734097
1-(3-acetylphenyl)propan-2-one
CID 12950417
1-(3-phosphanylphenyl)propan-2-one
CID 142179381
1-(chloromethyl)-3-(difluoromethyl)benzene
CID 83854596
ethyl 3,4-dihydroxy-4-[3-(2-oxopropyl)phenyl]butanoate
CID 171897723
4-(3-propan-2-ylphenyl)butan-2-one
CID 129128469
2-[3-(1-aminoethyl)phenyl]acetic acid
CID 55283105

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)phenyl]propan-2-one;fluoromethane?
The IUPAC name of 1-[3-(difluoromethyl)phenyl]propan-2-one;fluoromethane (CID 142914280) is 1-[3-(difluoromethyl)phenyl]propan-2-one;fluoromethane.
What is the SMILES notation for 1-[3-(difluoromethyl)phenyl]propan-2-one;fluoromethane?
The canonical SMILES for 1-[3-(difluoromethyl)phenyl]propan-2-one;fluoromethane is CC(=O)Cc1cccc(C(F)F)c1.CF.
What is the InChIKey of 1-[3-(difluoromethyl)phenyl]propan-2-one;fluoromethane?
The InChIKey is ACTJYCXPPFQZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O.CH3F/c1-7(13)5-8-3-2-4-9(6-8)10(11)12;1-2/h2-4,6,10H,5H2,1H3;1H3.
What are the key properties of 1-[3-(difluoromethyl)phenyl]propan-2-one;fluoromethane?
1-[3-(difluoromethyl)phenyl]propan-2-one;fluoromethane has a molecular weight of 218.22 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)phenyl]propan-2-one;fluoromethane is sourced from PubChem (CID 142914280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).