1-[4-(dimethylamino)-3-fluorophenyl]-2,2,2-trifluoroethanone

C10H9F4NO — CID 83388961

IUPAC1-[4-(dimethylamino)-3-fluorophenyl]-2,2,2-trifluoroethanone
SMILESCN(C)c1ccc(C(=O)C(F)(F)F)cc1F
InChIInChI=1S/C10H9F4NO/c1-15(2)8-4-3-6(5-7(8)11)9(16)10(12,13)14/h3-5H,1-2H3
InChIKeyVPZPXSUQUPRAKG-UHFFFAOYSA-N
MW235.18 g/mol
LogP2.64
Rot. Bonds2

About 1-[4-(dimethylamino)-3-fluorophenyl]-2,2,2-trifluoroethanone

1-[4-(dimethylamino)-3-fluorophenyl]-2,2,2-trifluoroethanone (PubChem CID 83388961) has the molecular formula C10H9F4NO and a molecular weight of 235.18 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-3-fluorophenyl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)-3-fluorophenyl]-2,2,2-trifluoroethanone
PubChem CID83388961
Molecular FormulaC10H9F4NO
Molecular Weight235.18 g/mol
Exact Mass235.06
IUPAC Name1-[4-(dimethylamino)-3-fluorophenyl]-2,2,2-trifluoroethanone
SMILESCN(C)c1ccc(C(=O)C(F)(F)F)cc1F
InChIInChI=1S/C10H9F4NO/c1-15(2)8-4-3-6(5-7(8)11)9(16)10(12,13)14/h3-5H,1-2H3
InChIKeyVPZPXSUQUPRAKG-UHFFFAOYSA-N
XLogP2.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.18
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanone
CID 2759044
[2-fluoro-5-(2,2,2-trifluoroacetyl)phenyl]-methyl-oxoazanium
CID 130287941
4-(dimethylamino)-3-fluorobenzenecarboximidamide
CID 43658256
4-[ethyl(methyl)amino]-3-fluorobenzoic acid
CID 43263559
1-(3-ethoxy-4-fluorophenyl)-2,2,2-trifluoroethanone
CID 91656438
bis[4-(dimethylamino)-2,5-difluorophenyl]methanone
CID 56956390
4-[2-(dimethylamino)ethyl-methylamino]-3-fluorobenzoic acid
CID 63695246
1-[4,5-bis(dimethylamino)naphthalen-1-yl]-2,2,2-trifluoroethanone
CID 2327126
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-3-fluorobenzoic acid
CID 43375097
N-cyclopropyl-N-(1-cyclopropylethyl)-4-(dimethylamino)-3-fluorobenzamide
CID 71883605
4-(dimethylamino)-3-fluoro-N-(2-phenylphenyl)benzamide
CID 60585811
1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethanone
CID 2758493

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-3-fluorophenyl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-(dimethylamino)-3-fluorophenyl]-2,2,2-trifluoroethanone (CID 83388961) is 1-[4-(dimethylamino)-3-fluorophenyl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-(dimethylamino)-3-fluorophenyl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-(dimethylamino)-3-fluorophenyl]-2,2,2-trifluoroethanone is CN(C)c1ccc(C(=O)C(F)(F)F)cc1F.
What is the InChIKey of 1-[4-(dimethylamino)-3-fluorophenyl]-2,2,2-trifluoroethanone?
The InChIKey is VPZPXSUQUPRAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO/c1-15(2)8-4-3-6(5-7(8)11)9(16)10(12,13)14/h3-5H,1-2H3.
What are the key properties of 1-[4-(dimethylamino)-3-fluorophenyl]-2,2,2-trifluoroethanone?
1-[4-(dimethylamino)-3-fluorophenyl]-2,2,2-trifluoroethanone has a molecular weight of 235.18 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-3-fluorophenyl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 83388961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).