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

C11H19F3N2O2 — CID 64893367

IUPAC3-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1(N)CCOC1
InChIInChI=1S/C11H19F3N2O2/c1-2-3-5-16(7-11(12,13)14)9(17)10(15)4-6-18-8-10/h2-8,15H2,1H3
InChIKeyYCAYVWFLKLIFQC-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.30
Rot. Bonds5

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

3-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 64893367) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID64893367
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name3-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1(N)CCOC1
InChIInChI=1S/C11H19F3N2O2/c1-2-3-5-16(7-11(12,13)14)9(17)10(15)4-6-18-8-10/h2-8,15H2,1H3
InChIKeyYCAYVWFLKLIFQC-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64893368
1-(aminomethyl)-N-butyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 113312851
3-amino-N,N-bis(2-ethoxyethyl)oxolane-3-carboxamide
CID 82966183
3-amino-N-propan-2-yl-N-propyloxolane-3-carboxamide
CID 64892499
3-amino-N-ethyl-N-(2-methylpropyl)oxolane-3-carboxamide
CID 64892702
4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 66239061
3-amino-N-(2-hydroxy-2-methylpropyl)-N-methyloxolane-3-carboxamide
CID 79378741
4-amino-N,N-diethyloxane-4-carboxamide
CID 115293439
1-amino-N,N-dipentylcyclopropane-1-carboxamide
CID 65463625
4-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)oxane-4-carboxamide
CID 115294429
3-amino-N-(2-methoxyethyl)-N-(2-methylpropyl)oxolane-3-carboxamide
CID 64891152
1-(3-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one
CID 116579702

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 64893367) is 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is CCCCN(CC(F)(F)F)C(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is YCAYVWFLKLIFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-2-3-5-16(7-11(12,13)14)9(17)10(15)4-6-18-8-10/h2-8,15H2,1H3.
What are the key properties of 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
3-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 64893367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).