2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide

C9H7F4NO2 — CID 62492319

IUPAC2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide
SMILESCOc1cc(F)ccc1NC(=O)C(F)(F)F
InChIInChI=1S/C9H7F4NO2/c1-16-7-4-5(10)2-3-6(7)14-8(15)9(11,12)13/h2-4H,1H3,(H,14,15)
InChIKeyVBMQSBWHMBKLHF-UHFFFAOYSA-N
MW237.15 g/mol
LogP2.34
Rot. Bonds2

About 2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide

2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide (PubChem CID 62492319) has the molecular formula C9H7F4NO2 and a molecular weight of 237.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide
PubChem CID62492319
Molecular FormulaC9H7F4NO2
Molecular Weight237.15 g/mol
Exact Mass237.04
IUPAC Name2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide
SMILESCOc1cc(F)ccc1NC(=O)C(F)(F)F
InChIInChI=1S/C9H7F4NO2/c1-16-7-4-5(10)2-3-6(7)14-8(15)9(11,12)13/h2-4H,1H3,(H,14,15)
InChIKeyVBMQSBWHMBKLHF-UHFFFAOYSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.15
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluoro-2-methoxyanilino)-3-oxopropanoic acid
CID 62232302
N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107025881
3-(4-fluoro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 114898275
2-hydroxyethyl N-(4-fluoro-2-methoxyphenyl)carbamate
CID 79349865
4-bromo-N-(4-fluoro-2-methoxyphenyl)-3,5-dimethoxybenzamide
CID 32610623
ethyl 2-(4-fluoro-2-methoxyanilino)-2-oxoacetate
CID 54967859
N-(4-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 32608110
(2R)-2-amino-N-(4-fluoro-2-methoxyphenyl)-3-methylbutanamide
CID 79013529
N-(4-fluoro-2-methoxyphenyl)-4-sulfanylbenzamide
CID 107025880
2-amino-4-fluoro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 63110567
2,2,2-trifluoro-N-(5-fluoro-2-hydroxyphenyl)acetamide
CID 15688157
N-(4-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86926666

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide (CID 62492319) is 2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide is COc1cc(F)ccc1NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide?
The InChIKey is VBMQSBWHMBKLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F4NO2/c1-16-7-4-5(10)2-3-6(7)14-8(15)9(11,12)13/h2-4H,1H3,(H,14,15).
What are the key properties of 2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide?
2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide has a molecular weight of 237.15 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 62492319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).