4-[ethyl(2,2,2-trifluoroethyl)amino]-2,3-difluorobenzoic acid

C11H10F5NO2 — CID 107935629

IUPAC4-[ethyl(2,2,2-trifluoroethyl)amino]-2,3-difluorobenzoic acid
SMILESCCN(CC(F)(F)F)c1ccc(C(=O)O)c(F)c1F
InChIInChI=1S/C11H10F5NO2/c1-2-17(5-11(14,15)16)7-4-3-6(10(18)19)8(12)9(7)13/h3-4H,2,5H2,1H3,(H,18,19)
InChIKeyYTPVLXRVQIERIG-UHFFFAOYSA-N
MW283.20 g/mol
LogP3.05
Rot. Bonds4

About 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,3-difluorobenzoic acid

4-[ethyl(2,2,2-trifluoroethyl)amino]-2,3-difluorobenzoic acid (PubChem CID 107935629) has the molecular formula C11H10F5NO2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,3-difluorobenzoic acid.

Molecular Properties

Compound Name4-[ethyl(2,2,2-trifluoroethyl)amino]-2,3-difluorobenzoic acid
PubChem CID107935629
Molecular FormulaC11H10F5NO2
Molecular Weight283.20 g/mol
Exact Mass283.06
IUPAC Name4-[ethyl(2,2,2-trifluoroethyl)amino]-2,3-difluorobenzoic acid
SMILESCCN(CC(F)(F)F)c1ccc(C(=O)O)c(F)c1F
InChIInChI=1S/C11H10F5NO2/c1-2-17(5-11(14,15)16)7-4-3-6(10(18)19)8(12)9(7)13/h3-4H,2,5H2,1H3,(H,18,19)
InChIKeyYTPVLXRVQIERIG-UHFFFAOYSA-N
XLogP3.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,3-difluorobenzoic acid 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

4-(diethylamino)-2,3-difluorobenzoic acid
CID 107935565
4-[butyl(ethyl)amino]-2,3-difluorobenzoic acid
CID 107935574
4-[2-ethoxyethyl(ethyl)amino]-2,3-difluorobenzoic acid
CID 114017930
2-amino-6-[ethyl(2,2,2-trifluoroethyl)amino]-3-fluorobenzoic acid
CID 83207181
2-[ethyl(2,2,2-trifluoroethyl)amino]-6-fluorobenzoic acid
CID 79522128
2-chloro-4-[ethyl(2,2,2-trifluoroethyl)amino]benzoic acid
CID 62946083
4-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]benzoic acid
CID 82785995
4-[cyclopentyl(ethyl)amino]-2,3-difluorobenzoic acid
CID 107935599
4-[2-(dimethylamino)ethyl-methylamino]-2,3-difluorobenzoic acid
CID 107935744
2-bromo-4-[3-(dimethylamino)propyl-ethylamino]-3-fluorobenzoic acid
CID 107540550
2-bromo-4-(dipropylamino)-3-fluorobenzoic acid
CID 107540106
5-[ethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62087770

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,3-difluorobenzoic acid?
The IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,3-difluorobenzoic acid (CID 107935629) is 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,3-difluorobenzoic acid.
What is the SMILES notation for 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,3-difluorobenzoic acid?
The canonical SMILES for 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,3-difluorobenzoic acid is CCN(CC(F)(F)F)c1ccc(C(=O)O)c(F)c1F.
What is the InChIKey of 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,3-difluorobenzoic acid?
The InChIKey is YTPVLXRVQIERIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5NO2/c1-2-17(5-11(14,15)16)7-4-3-6(10(18)19)8(12)9(7)13/h3-4H,2,5H2,1H3,(H,18,19).
What are the key properties of 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,3-difluorobenzoic acid?
4-[ethyl(2,2,2-trifluoroethyl)amino]-2,3-difluorobenzoic acid has a molecular weight of 283.20 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,3-difluorobenzoic acid is sourced from PubChem (CID 107935629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).