CID 162415733

C8H12F2NO3 — CID 162415733

IUPAC—
SMILESCCOC(=O)C(F)(F)C[CH]NC(C)=O
InChIInChI=1S/C8H12F2NO3/c1-3-14-7(13)8(9,10)4-5-11-6(2)12/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyYYPVQPZCNJKNKL-UHFFFAOYSA-N
MW208.18 g/mol
LogP0.87
Rot. Bonds5

About CID 162415733

CID 162415733 (PubChem CID 162415733) has the molecular formula C8H12F2NO3 and a molecular weight of 208.18 g/mol.

Molecular Properties

Compound NameCID 162415733
PubChem CID162415733
Molecular FormulaC8H12F2NO3
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name—
SMILESCCOC(=O)C(F)(F)C[CH]NC(C)=O
InChIInChI=1S/C8H12F2NO3/c1-3-14-7(13)8(9,10)4-5-11-6(2)12/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyYYPVQPZCNJKNKL-UHFFFAOYSA-N
XLogP0.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze CID 162415733 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

2,2,3,3-Tetrafluoropropyl 4-(cyclopropylamino)-4-oxobutanoate
CID 587889
beta-Alanine, n-pentafluoropropionyl-, ethyl ester
CID 91730315
beta-Alanine, n-pentafluoropropionyl-, propyl ester
CID 91735322
beta-Alanine, n-pentafluoropropionyl-, butyl ester
CID 91735324
Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]ethyl ester
CID 91736150
3-Amino-1-propanol, N,O-di(heptafluorobutyryl)-
CID 91736151
beta-Alanine, n-heptafluorobutyryl-, butyl ester
CID 91739977
beta-Alanine, n-heptafluorobutyryl-, pentyl ester
CID 91739978
Methyl 4-acetamidobutyrate
CID 12806311
4-Amino-1-butanol, N,O-diacetyl-
CID 54021643
2,2,2-Trifluoroethyl 4-{[(2,2,2-trifluoroethoxy)carbonyl]amino}butanoate
CID 129844166
2,2,2-trifluoroethyl (3R)-3-acetamidobutanoate
CID 135081051

Frequently Asked Questions

What is the IUPAC name of CID 162415733?
The IUPAC name of CID 162415733 (CID 162415733) is not available.
What is the SMILES notation for CID 162415733?
The canonical SMILES for CID 162415733 is CCOC(=O)C(F)(F)C[CH]NC(C)=O.
What is the InChIKey of CID 162415733?
The InChIKey is YYPVQPZCNJKNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2NO3/c1-3-14-7(13)8(9,10)4-5-11-6(2)12/h5H,3-4H2,1-2H3,(H,11,12).
What are the key properties of CID 162415733?
CID 162415733 has a molecular weight of 208.18 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162415733 is sourced from PubChem (CID 162415733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).