N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide

C9H5ClF5NO — CID 103603473

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)C(F)F
InChIInChI=1S/C9H5ClF5NO/c10-4-1-2-6(16-8(17)7(11)12)5(3-4)9(13,14)15/h1-3,7H,(H,16,17)
InChIKeyDRFOOKIIIVVKRN-UHFFFAOYSA-N
MW273.59 g/mol
LogP3.56
Rot. Bonds2

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide (PubChem CID 103603473) has the molecular formula C9H5ClF5NO and a molecular weight of 273.59 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
PubChem CID103603473
Molecular FormulaC9H5ClF5NO
Molecular Weight273.59 g/mol
Exact Mass273.00
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)C(F)F
InChIInChI=1S/C9H5ClF5NO/c10-4-1-2-6(16-8(17)7(11)12)5(3-4)9(13,14)15/h1-3,7H,(H,16,17)
InChIKeyDRFOOKIIIVVKRN-UHFFFAOYSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.59
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 22690588
N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103515406
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79195644
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-sulfanylphenyl)urea
CID 108886509
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]butanediamide
CID 60848978
(2S)-2-anilino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 2464532
1-tert-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108896918
2-(aminomethyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]butanamide
CID 65225936
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]pentanamide
CID 43650065
N-(4-chloro-2-methylphenyl)-2,2-difluoroacetamide
CID 103605147
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylbutyl)urea
CID 47325404
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide (CID 103603473) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide?
The InChIKey is DRFOOKIIIVVKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF5NO/c10-4-1-2-6(16-8(17)7(11)12)5(3-4)9(13,14)15/h1-3,7H,(H,16,17).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide has a molecular weight of 273.59 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide is sourced from PubChem (CID 103603473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).