2-[2,2-difluoroethyl(ethyl)amino]acetic acid

C6H11F2NO2 — CID 61011889

IUPAC2-[2,2-difluoroethyl(ethyl)amino]acetic acid
SMILESCCN(CC(=O)O)CC(F)F
InChIInChI=1S/C6H11F2NO2/c1-2-9(3-5(7)8)4-6(10)11/h5H,2-4H2,1H3,(H,10,11)
InChIKeyUBXWIKLRRMIRBL-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.66
Rot. Bonds5

About 2-[2,2-difluoroethyl(ethyl)amino]acetic acid

2-[2,2-difluoroethyl(ethyl)amino]acetic acid (PubChem CID 61011889) has the molecular formula C6H11F2NO2 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(ethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(ethyl)amino]acetic acid
PubChem CID61011889
Molecular FormulaC6H11F2NO2
Molecular Weight167.16 g/mol
Exact Mass167.08
IUPAC Name2-[2,2-difluoroethyl(ethyl)amino]acetic acid
SMILESCCN(CC(=O)O)CC(F)F
InChIInChI=1S/C6H11F2NO2/c1-2-9(3-5(7)8)4-6(10)11/h5H,2-4H2,1H3,(H,10,11)
InChIKeyUBXWIKLRRMIRBL-UHFFFAOYSA-N
XLogP0.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2,2-difluoroethyl(ethyl)amino]acetic 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

2-[ethyl(2-methylpropyl)amino]acetic acid
CID 43273893
2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]acetic acid
CID 103371514
ethane;2-[ethyl(propyl)amino]acetic acid
CID 143677754
buta-1,3-diene;2-(diethylamino)acetic acid
CID 87268914
2-[carboxymethyl(ethyl)amino]acetic acid;N-methylpropan-1-amine
CID 142211328
2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid
CID 134601961
2-[ethyl(2-methylprop-2-enyl)amino]acetic acid
CID 60712574
2-[2-aminoethyl(ethyl)amino]acetic acid
CID 22667567
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N,N-diethylacetamide
CID 107494429
2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
CID 88838366
4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoic acid
CID 103102939

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(ethyl)amino]acetic acid?
The IUPAC name of 2-[2,2-difluoroethyl(ethyl)amino]acetic acid (CID 61011889) is 2-[2,2-difluoroethyl(ethyl)amino]acetic acid.
What is the SMILES notation for 2-[2,2-difluoroethyl(ethyl)amino]acetic acid?
The canonical SMILES for 2-[2,2-difluoroethyl(ethyl)amino]acetic acid is CCN(CC(=O)O)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(ethyl)amino]acetic acid?
The InChIKey is UBXWIKLRRMIRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2/c1-2-9(3-5(7)8)4-6(10)11/h5H,2-4H2,1H3,(H,10,11).
What are the key properties of 2-[2,2-difluoroethyl(ethyl)amino]acetic acid?
2-[2,2-difluoroethyl(ethyl)amino]acetic acid has a molecular weight of 167.16 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(ethyl)amino]acetic acid is sourced from PubChem (CID 61011889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).