N-(4-chlorophenyl)-4,4,4-trifluorobutanamide

C10H9ClF3NO — CID 155941225

IUPACN-(4-chlorophenyl)-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)Nc1ccc(Cl)cc1
InChIInChI=1S/C10H9ClF3NO/c11-7-1-3-8(4-2-7)15-9(16)5-6-10(12,13)14/h1-4H,5-6H2,(H,15,16)
InChIKeyAGRVEFBLEGGZQB-UHFFFAOYSA-N
MW251.63 g/mol
LogP3.62
Rot. Bonds3

About N-(4-chlorophenyl)-4,4,4-trifluorobutanamide

N-(4-chlorophenyl)-4,4,4-trifluorobutanamide (PubChem CID 155941225) has the molecular formula C10H9ClF3NO and a molecular weight of 251.63 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4,4,4-trifluorobutanamide
PubChem CID155941225
Molecular FormulaC10H9ClF3NO
Molecular Weight251.63 g/mol
Exact Mass251.03
IUPAC NameN-(4-chlorophenyl)-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)Nc1ccc(Cl)cc1
InChIInChI=1S/C10H9ClF3NO/c11-7-1-3-8(4-2-7)15-9(16)5-6-10(12,13)14/h1-4H,5-6H2,(H,15,16)
InChIKeyAGRVEFBLEGGZQB-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.63
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4,4,4-trifluoro-N-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]butanamide
CID 77099519
2,2,2-trifluoroethyl N-(4-chlorophenyl)carbamate
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N-(4-chlorophenyl)tridecanamide
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4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide
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CID 19221191
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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4,4,4-trifluorobutanamide?
The IUPAC name of N-(4-chlorophenyl)-4,4,4-trifluorobutanamide (CID 155941225) is N-(4-chlorophenyl)-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-(4-chlorophenyl)-4,4,4-trifluorobutanamide?
The canonical SMILES for N-(4-chlorophenyl)-4,4,4-trifluorobutanamide is O=C(CCC(F)(F)F)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4,4,4-trifluorobutanamide?
The InChIKey is AGRVEFBLEGGZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO/c11-7-1-3-8(4-2-7)15-9(16)5-6-10(12,13)14/h1-4H,5-6H2,(H,15,16).
What are the key properties of N-(4-chlorophenyl)-4,4,4-trifluorobutanamide?
N-(4-chlorophenyl)-4,4,4-trifluorobutanamide has a molecular weight of 251.63 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4,4,4-trifluorobutanamide is sourced from PubChem (CID 155941225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).