4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

C11H19F3N2O2 — CID 66239061

IUPAC4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1COCC1N
InChIInChI=1S/C11H19F3N2O2/c1-2-3-4-16(7-11(12,13)14)10(17)8-5-18-6-9(8)15/h8-9H,2-7,15H2,1H3
InChIKeyZXQOMWSQDPHYBP-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.15
Rot. Bonds5

About 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 66239061) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID66239061
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1COCC1N
InChIInChI=1S/C11H19F3N2O2/c1-2-3-4-16(7-11(12,13)14)10(17)8-5-18-6-9(8)15/h8-9H,2-7,15H2,1H3
InChIKeyZXQOMWSQDPHYBP-UHFFFAOYSA-N
XLogP1.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 66236037
2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 64822616
2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975228
2-[(4-aminooxolane-3-carbonyl)-propylamino]acetic acid
CID 66235465
3-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 66009798
(1S,6R)-6-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962177
6-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 60949932
N-butyl-2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 78868725
4-amino-N,N-bis(2-hydroxyethyl)oxolane-3-carboxamide
CID 66237461
4-amino-N-pentyl-N-propan-2-yloxolane-3-carboxamide
CID 66238860
2-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 65453779
3-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64893367

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 66239061) is 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is CCCCN(CC(F)(F)F)C(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is ZXQOMWSQDPHYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-2-3-4-16(7-11(12,13)14)10(17)8-5-18-6-9(8)15/h8-9H,2-7,15H2,1H3.
What are the key properties of 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 66239061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).