1-[4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-fluorophenyl]ethanone

C13H13F4NO — CID 55010756

IUPAC1-[4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(N(CC(F)(F)F)C2CC2)c(F)c1
InChIInChI=1S/C13H13F4NO/c1-8(19)9-2-5-12(11(14)6-9)18(10-3-4-10)7-13(15,16)17/h2,5-6,10H,3-4,7H2,1H3
InChIKeyCUUZAGOIVONFIJ-UHFFFAOYSA-N
MW275.25 g/mol
LogP3.56
Rot. Bonds4

About 1-[4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-fluorophenyl]ethanone

1-[4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-fluorophenyl]ethanone (PubChem CID 55010756) has the molecular formula C13H13F4NO and a molecular weight of 275.25 g/mol. Its IUPAC name is 1-[4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-fluorophenyl]ethanone
PubChem CID55010756
Molecular FormulaC13H13F4NO
Molecular Weight275.25 g/mol
Exact Mass275.09
IUPAC Name1-[4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(N(CC(F)(F)F)C2CC2)c(F)c1
InChIInChI=1S/C13H13F4NO/c1-8(19)9-2-5-12(11(14)6-9)18(10-3-4-10)7-13(15,16)17/h2,5-6,10H,3-4,7H2,1H3
InChIKeyCUUZAGOIVONFIJ-UHFFFAOYSA-N
XLogP3.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-fluorophenyl]ethanone with MolForge

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Related Compounds

1-N-cyclopropyl-2-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
CID 55011299
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5-fluorobenzoic acid
CID 55010433
1-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-fluorophenyl]ethanone
CID 79387843
2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 55236190
1-[4-[bis(2-methylpropyl)amino]-3-fluorophenyl]ethanone
CID 63532802
3-acetyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61384835
1-[3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]phenyl]ethanone
CID 61432381
4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,3-difluorobenzonitrile
CID 107933624
(1R)-1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6-fluorophenyl]ethanol
CID 63372772
4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-methylbenzonitrile
CID 55008751
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929868
4-[cyclopropyl(3-methylbutyl)amino]-3-fluorobenzenecarbothioamide
CID 78974421

Frequently Asked Questions

What is the IUPAC name of 1-[4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-fluorophenyl]ethanone?
The IUPAC name of 1-[4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-fluorophenyl]ethanone (CID 55010756) is 1-[4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-fluorophenyl]ethanone.
What is the SMILES notation for 1-[4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-fluorophenyl]ethanone?
The canonical SMILES for 1-[4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-fluorophenyl]ethanone is CC(=O)c1ccc(N(CC(F)(F)F)C2CC2)c(F)c1.
What is the InChIKey of 1-[4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-fluorophenyl]ethanone?
The InChIKey is CUUZAGOIVONFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F4NO/c1-8(19)9-2-5-12(11(14)6-9)18(10-3-4-10)7-13(15,16)17/h2,5-6,10H,3-4,7H2,1H3.
What are the key properties of 1-[4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-fluorophenyl]ethanone?
1-[4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-fluorophenyl]ethanone has a molecular weight of 275.25 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-fluorophenyl]ethanone is sourced from PubChem (CID 55010756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).