ethyl 3-amino-4,4,4-trifluorobutanoate

C6H10F3NO2 — CID 2774311

IUPACethyl 3-amino-4,4,4-trifluorobutanoate
SMILESCCOC(=O)CC(N)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-2-12-5(11)3-4(10)6(7,8)9/h4H,2-3,10H2,1H3
InChIKeyKGUOZZWGWBBRRF-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.83
Rot. Bonds3

About ethyl 3-amino-4,4,4-trifluorobutanoate

ethyl 3-amino-4,4,4-trifluorobutanoate (PubChem CID 2774311) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is ethyl 3-amino-4,4,4-trifluorobutanoate.

Molecular Properties

Compound Nameethyl 3-amino-4,4,4-trifluorobutanoate
PubChem CID2774311
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Nameethyl 3-amino-4,4,4-trifluorobutanoate
SMILESCCOC(=O)CC(N)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-2-12-5(11)3-4(10)6(7,8)9/h4H,2-3,10H2,1H3
InChIKeyKGUOZZWGWBBRRF-UHFFFAOYSA-N
XLogP0.83
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-amino-4,4,4-trifluorobutanoate 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

ethyl (3R)-3-amino-4,4,5,5,6,6,6-heptafluorohexanoate
CID 171210387
ethyl (3S)-3-bromo-4,4,4-trifluorobutanoate
CID 96565618
ethyl 4,4,4-trifluoro-3-hydrazinylbutanoate
CID 154016508
3-amino-4,4,4-trifluoro-N,N-dimethylbutanamide
CID 58772889
ethyl 3-amino-5-fluoro-4-hydroxy-4-methoxypentanoate
CID 170060341
ethyl (3S)-4,4-difluoro-3-hydroxypentanoate
CID 122595250
ethyl (3S)-3-chlorosulfonyl-4,4,4-trifluorobutanoate
CID 124710098
ethyl 3-(trifluoromethyl)heptanoate
CID 19890429
ethyl 3-amino-5-iodo-4,4-dimethoxypentanoate
CID 170059617
diethyl 4-(trifluoromethyl)heptanedioate
CID 102090199
4-amino-1,1,1,5,5,5-hexafluoropentan-2-one
CID 163555520
ethyl (3S)-3-butanoyloxy-4,4,4-trifluorobutanoate
CID 131860446

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4,4,4-trifluorobutanoate?
The IUPAC name of ethyl 3-amino-4,4,4-trifluorobutanoate (CID 2774311) is ethyl 3-amino-4,4,4-trifluorobutanoate.
What is the SMILES notation for ethyl 3-amino-4,4,4-trifluorobutanoate?
The canonical SMILES for ethyl 3-amino-4,4,4-trifluorobutanoate is CCOC(=O)CC(N)C(F)(F)F.
What is the InChIKey of ethyl 3-amino-4,4,4-trifluorobutanoate?
The InChIKey is KGUOZZWGWBBRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-2-12-5(11)3-4(10)6(7,8)9/h4H,2-3,10H2,1H3.
What are the key properties of ethyl 3-amino-4,4,4-trifluorobutanoate?
ethyl 3-amino-4,4,4-trifluorobutanoate has a molecular weight of 185.14 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4,4,4-trifluorobutanoate is sourced from PubChem (CID 2774311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).