N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]cyclopropanecarboxamide

C12H10F5NO — CID 119033895

IUPACN-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]cyclopropanecarboxamide
SMILESO=C(NC(c1cccc(F)c1F)C(F)(F)F)C1CC1
InChIInChI=1S/C12H10F5NO/c13-8-3-1-2-7(9(8)14)10(12(15,16)17)18-11(19)6-4-5-6/h1-3,6,10H,4-5H2,(H,18,19)
InChIKeyZXPODRRLQBNPJY-UHFFFAOYSA-N
MW279.21 g/mol
LogP3.09
Rot. Bonds3

About N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]cyclopropanecarboxamide

N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]cyclopropanecarboxamide (PubChem CID 119033895) has the molecular formula C12H10F5NO and a molecular weight of 279.21 g/mol. Its IUPAC name is N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]cyclopropanecarboxamide
PubChem CID119033895
Molecular FormulaC12H10F5NO
Molecular Weight279.21 g/mol
Exact Mass279.07
IUPAC NameN-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]cyclopropanecarboxamide
SMILESO=C(NC(c1cccc(F)c1F)C(F)(F)F)C1CC1
InChIInChI=1S/C12H10F5NO/c13-8-3-1-2-7(9(8)14)10(12(15,16)17)18-11(19)6-4-5-6/h1-3,6,10H,4-5H2,(H,18,19)
InChIKeyZXPODRRLQBNPJY-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.21
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-N-[(1R)-1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 99701904
3-[(1S)-1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]-1-[2-(dimethylamino)ethyl]-1-methylurea
CID 99702013
N-(2,6-difluorophenyl)cyclopropanecarboxamide
CID 60631276
N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopropanecarboxamide
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N-[cyano-(2-fluorophenyl)methyl]cyclopropanecarboxamide
CID 82114013
1-(2-fluorophenyl)sulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide
CID 55794457
N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]propan-1-amine
CID 66205176
1-(2,3-difluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 75480584
N-[1-[1-(2-fluorophenyl)ethyl-methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110013976
4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 79527625
N-[1-(3-fluorophenyl)ethyl]cyclopropanecarboxamide
CID 60630491
3-(cyclohexanecarbonylamino)-3-(2-fluorophenyl)propanoic acid
CID 166313098

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]cyclopropanecarboxamide (CID 119033895) is N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]cyclopropanecarboxamide is O=C(NC(c1cccc(F)c1F)C(F)(F)F)C1CC1.
What is the InChIKey of N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]cyclopropanecarboxamide?
The InChIKey is ZXPODRRLQBNPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F5NO/c13-8-3-1-2-7(9(8)14)10(12(15,16)17)18-11(19)6-4-5-6/h1-3,6,10H,4-5H2,(H,18,19).
What are the key properties of N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]cyclopropanecarboxamide?
N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]cyclopropanecarboxamide has a molecular weight of 279.21 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]cyclopropanecarboxamide is sourced from PubChem (CID 119033895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).