N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide

C9H6ClF4NO2 — CID 113218222

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)C(F)F
InChIInChI=1S/C9H6ClF4NO2/c10-5-3-4(15-8(16)7(11)12)1-2-6(5)17-9(13)14/h1-3,7,9H,(H,15,16)
InChIKeyVSASHYBRZGCOPO-UHFFFAOYSA-N
MW271.60 g/mol
LogP3.14
Rot. Bonds4

About N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide (PubChem CID 113218222) has the molecular formula C9H6ClF4NO2 and a molecular weight of 271.60 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
PubChem CID113218222
Molecular FormulaC9H6ClF4NO2
Molecular Weight271.60 g/mol
Exact Mass271.00
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)C(F)F
InChIInChI=1S/C9H6ClF4NO2/c10-5-3-4(15-8(16)7(11)12)1-2-6(5)17-9(13)14/h1-3,7,9H,(H,15,16)
InChIKeyVSASHYBRZGCOPO-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.60
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide
CID 107569326
(2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61260000
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide
CID 4842173
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chlorophenyl)urea
CID 8002775
ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate
CID 60637785
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea
CID 1297847
(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]hexanamide
CID 103830934
2-(aminomethyl)-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide
CID 65229433
N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 2579010
N-[3-chloro-4-(difluoromethoxy)phenyl]-1-phenylcyclopropane-1-carboxamide
CID 8696473
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 42947731

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide (CID 113218222) is N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide is O=C(Nc1ccc(OC(F)F)c(Cl)c1)C(F)F.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide?
The InChIKey is VSASHYBRZGCOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF4NO2/c10-5-3-4(15-8(16)7(11)12)1-2-6(5)17-9(13)14/h1-3,7,9H,(H,15,16).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide has a molecular weight of 271.60 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide is sourced from PubChem (CID 113218222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).