N-(3-chloro-4-fluorophenyl)-2,2,2-trifluoro-N-methylacetamide

C9H6ClF4NO — CID 115190199

IUPACN-(3-chloro-4-fluorophenyl)-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H6ClF4NO/c1-15(8(16)9(12,13)14)5-2-3-7(11)6(10)4-5/h2-4H,1H3
InChIKeyCTTDQWKLCNCCRL-UHFFFAOYSA-N
MW255.60 g/mol
LogP3.00
Rot. Bonds1

About N-(3-chloro-4-fluorophenyl)-2,2,2-trifluoro-N-methylacetamide

N-(3-chloro-4-fluorophenyl)-2,2,2-trifluoro-N-methylacetamide (PubChem CID 115190199) has the molecular formula C9H6ClF4NO and a molecular weight of 255.60 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2,2,2-trifluoro-N-methylacetamide
PubChem CID115190199
Molecular FormulaC9H6ClF4NO
Molecular Weight255.60 g/mol
Exact Mass255.01
IUPAC NameN-(3-chloro-4-fluorophenyl)-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H6ClF4NO/c1-15(8(16)9(12,13)14)5-2-3-7(11)6(10)4-5/h2-4H,1H3
InChIKeyCTTDQWKLCNCCRL-UHFFFAOYSA-N
XLogP3.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.60
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(dimethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide
CID 91720800
2-amino-3-(3-chloro-4-fluoro-N-methylanilino)-3-oxopropanoic acid
CID 115179227
4-amino-N-(3-chloro-4-fluorophenyl)-N,3-dimethylbutanamide
CID 115156319
N-(3-ethyl-4-methoxyphenyl)-2,2,2-trifluoro-N-methylacetamide
CID 115190181
N-[3-cyano-4-(dimethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide
CID 91677367
2,2,2-trifluoro-N-(3-methoxyphenyl)-N-methylacetamide
CID 64593233
(2S)-N-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 97337805
(E)-4-(3-chloro-4-fluoro-N-methylanilino)but-2-enoic acid
CID 115237024
N-(bromomethyl)-3-chloro-4-fluoro-N-methylaniline
CID 115261751
N-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide
CID 55209867
N-(2-chloro-1,3-benzoxazol-6-yl)-2,2,2-trifluoro-N-methylacetamide;2-chloro-N-methyl-1,3-benzoxazol-6-amine
CID 162015900
2,2,2-trifluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 115190207

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2,2,2-trifluoro-N-methylacetamide (CID 115190199) is N-(3-chloro-4-fluorophenyl)-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2,2,2-trifluoro-N-methylacetamide is CN(C(=O)C(F)(F)F)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is CTTDQWKLCNCCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF4NO/c1-15(8(16)9(12,13)14)5-2-3-7(11)6(10)4-5/h2-4H,1H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-2,2,2-trifluoro-N-methylacetamide?
N-(3-chloro-4-fluorophenyl)-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 255.60 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 115190199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).