4-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide

C8H13F3N2O2 — CID 66237706

IUPAC4-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
SMILESNC1COCC1C(=O)NCCC(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)1-2-13-7(14)5-3-15-4-6(5)12/h5-6H,1-4,12H2,(H,13,14)
InChIKeyNNYYZBOUQXIZTM-UHFFFAOYSA-N
MW226.20 g/mol
LogP0.03
Rot. Bonds3

About 4-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide

4-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide (PubChem CID 66237706) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 4-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
PubChem CID66237706
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name4-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
SMILESNC1COCC1C(=O)NCCC(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)1-2-13-7(14)5-3-15-4-6(5)12/h5-6H,1-4,12H2,(H,13,14)
InChIKeyNNYYZBOUQXIZTM-UHFFFAOYSA-N
XLogP0.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2,2-dimethylpropyl)oxolane-3-carboxamide
CID 66237269
4-(propylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
CID 66257134
4-amino-N-hexyloxolane-3-carboxamide
CID 66238816
4-amino-N-(2-ethoxyethyl)oxolane-3-carboxamide
CID 66239012
7-[(4-aminooxolane-3-carbonyl)amino]heptanoic acid
CID 66235647
4-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide
CID 66235652
methyl 4-[(4-aminooxolane-3-carbonyl)amino]butanoate
CID 66237074
4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]oxolane-3-carboxamide
CID 114134099
4-amino-N-(2-ethoxy-2-methylpropyl)oxolane-3-carboxamide
CID 114942260
4-amino-N-[3-(2-methylpropylamino)-3-oxopropyl]oxolane-3-carboxamide
CID 113410096
4-amino-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 63227240
4-amino-N-[(4-fluorophenyl)methyl]oxolane-3-carboxamide
CID 66239603

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide (CID 66237706) is 4-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide is NC1COCC1C(=O)NCCC(F)(F)F.
What is the InChIKey of 4-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide?
The InChIKey is NNYYZBOUQXIZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)1-2-13-7(14)5-3-15-4-6(5)12/h5-6H,1-4,12H2,(H,13,14).
What are the key properties of 4-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide?
4-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide has a molecular weight of 226.20 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide is sourced from PubChem (CID 66237706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).