N-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroacetamide

C9H6F5NO — CID 130770723

IUPACN-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(C(F)F)cc1)C(F)(F)F
InChIInChI=1S/C9H6F5NO/c10-7(11)5-1-3-6(4-2-5)15-8(16)9(12,13)14/h1-4,7H,(H,15,16)
InChIKeyBPWZNTVWGARUFV-UHFFFAOYSA-N
MW239.14 g/mol
LogP3.12
Rot. Bonds2

About N-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroacetamide

N-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 130770723) has the molecular formula C9H6F5NO and a molecular weight of 239.14 g/mol. Its IUPAC name is N-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroacetamide
PubChem CID130770723
Molecular FormulaC9H6F5NO
Molecular Weight239.14 g/mol
Exact Mass239.04
IUPAC NameN-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(C(F)F)cc1)C(F)(F)F
InChIInChI=1S/C9H6F5NO/c10-7(11)5-1-3-6(4-2-5)15-8(16)9(12,13)14/h1-4,7H,(H,15,16)
InChIKeyBPWZNTVWGARUFV-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.14
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
[4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid
CID 18543052
4-[(2,2,2-trifluoroacetyl)amino]phenolate
CID 171407160
2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 3688505
2,2,2-trifluoro-N-pyridin-4-ylacetamide
CID 4095205
N-[4-(chloromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 117275285
2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
CID 108933208
2,2,2-trifluoro-N-(4-nitrophenyl)acetamide
CID 616367
2,2,2-trifluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 15498276
2,2,2-trifluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
CID 141369710
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetic acid
CID 54537259
3-phenyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
CID 110622812

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroacetamide (CID 130770723) is N-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroacetamide is O=C(Nc1ccc(C(F)F)cc1)C(F)(F)F.
What is the InChIKey of N-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is BPWZNTVWGARUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO/c10-7(11)5-1-3-6(4-2-5)15-8(16)9(12,13)14/h1-4,7H,(H,15,16).
What are the key properties of N-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroacetamide?
N-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 239.14 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 130770723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).