2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride

C10H12ClF3N2O — CID 119726408

IUPAC2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
SMILESCl.O=C(CNc1ccccc1)NCC(F)(F)F
InChIInChI=1S/C10H11F3N2O.ClH/c11-10(12,13)7-15-9(16)6-14-8-4-2-1-3-5-8;/h1-5,14H,6-7H2,(H,15,16);1H
InChIKeyWMNIKSCSUADNGO-UHFFFAOYSA-N
MW268.67 g/mol
LogP2.20
Rot. Bonds4

About 2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride

2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride (PubChem CID 119726408) has the molecular formula C10H12ClF3N2O and a molecular weight of 268.67 g/mol. Its IUPAC name is 2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
PubChem CID119726408
Molecular FormulaC10H12ClF3N2O
Molecular Weight268.67 g/mol
Exact Mass268.06
IUPAC Name2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
SMILESCl.O=C(CNc1ccccc1)NCC(F)(F)F
InChIInChI=1S/C10H11F3N2O.ClH/c11-10(12,13)7-15-9(16)6-14-8-4-2-1-3-5-8;/h1-5,14H,6-7H2,(H,15,16);1H
InChIKeyWMNIKSCSUADNGO-UHFFFAOYSA-N
XLogP2.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.67
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60638136
2-(3-acetamidoanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 37176536
2-(3-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646925
2-anilino-N-(2,2-difluoroethyl)acetamide;hydrochloride
CID 119781479
2-(thiophen-3-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 66353029
2-anilino-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 106148046
2-(4-butylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60684996
2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60688864
2-anilino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119699219
2-anilino-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 106148276
N-(2,2,2-trifluoroethyl)aniline
CID 9596
2-(3,5-dichloro-4-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 103579817

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride?
The IUPAC name of 2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride (CID 119726408) is 2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride?
The canonical SMILES for 2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride is Cl.O=C(CNc1ccccc1)NCC(F)(F)F.
What is the InChIKey of 2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride?
The InChIKey is WMNIKSCSUADNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O.ClH/c11-10(12,13)7-15-9(16)6-14-8-4-2-1-3-5-8;/h1-5,14H,6-7H2,(H,15,16);1H.
What are the key properties of 2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride?
2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride has a molecular weight of 268.67 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride is sourced from PubChem (CID 119726408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).