2-amino-N-(2,5-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide

C10H9F5N2O — CID 79790386

IUPAC2-amino-N-(2,5-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)Nc1cc(F)ccc1F)C(F)(F)F
InChIInChI=1S/C10H9F5N2O/c1-9(16,10(13,14)15)8(18)17-7-4-5(11)2-3-6(7)12/h2-4H,16H2,1H3,(H,17,18)
InChIKeyDPZQJTOAKIGCEN-UHFFFAOYSA-N
MW268.19 g/mol
LogP2.18
Rot. Bonds2

About 2-amino-N-(2,5-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-(2,5-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79790386) has the molecular formula C10H9F5N2O and a molecular weight of 268.19 g/mol. Its IUPAC name is 2-amino-N-(2,5-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2,5-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79790386
Molecular FormulaC10H9F5N2O
Molecular Weight268.19 g/mol
Exact Mass268.06
IUPAC Name2-amino-N-(2,5-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)Nc1cc(F)ccc1F)C(F)(F)F
InChIInChI=1S/C10H9F5N2O/c1-9(16,10(13,14)15)8(18)17-7-4-5(11)2-3-6(7)12/h2-4H,16H2,1H3,(H,17,18)
InChIKeyDPZQJTOAKIGCEN-UHFFFAOYSA-N
XLogP2.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-fluorobenzoic acid
CID 79811676
2-amino-3,3,3-trifluoro-2-methyl-N-(3,4,5-trifluorophenyl)propanamide
CID 79811217
tert-butyl N-(2,5-difluorophenyl)carbamate
CID 14690685
N'-tert-butyl-N-(2,5-difluorophenyl)oxamide
CID 44998522
2-amino-N-(2-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79797089
2-amino-N-(2-bromo-4,6-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79796967
2-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79797820
2-amino-3,3,3-trifluoro-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide
CID 79796657
3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-4-bromobenzoic acid
CID 107813530
2-amino-N-(2-bromo-5-iodophenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 114259830
3-(2,5-difluorophenyl)-1,1-dimethylurea
CID 110459919
(Z)-4-(2,5-difluoroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55169446

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,5-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(2,5-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide (CID 79790386) is 2-amino-N-(2,5-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(2,5-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(2,5-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide is CC(N)(C(=O)Nc1cc(F)ccc1F)C(F)(F)F.
What is the InChIKey of 2-amino-N-(2,5-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is DPZQJTOAKIGCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5N2O/c1-9(16,10(13,14)15)8(18)17-7-4-5(11)2-3-6(7)12/h2-4H,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-(2,5-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(2,5-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 268.19 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,5-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79790386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).