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

C10H17F3N2O2 — CID 64893368

IUPAC3-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1(N)CCOC1
InChIInChI=1S/C10H17F3N2O2/c1-2-4-15(6-10(11,12)13)8(16)9(14)3-5-17-7-9/h2-7,14H2,1H3
InChIKeyLCFYRGDRWHDMFT-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.91
Rot. Bonds4

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

3-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 64893368) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID64893368
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name3-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1(N)CCOC1
InChIInChI=1S/C10H17F3N2O2/c1-2-4-15(6-10(11,12)13)8(16)9(14)3-5-17-7-9/h2-7,14H2,1H3
InChIKeyLCFYRGDRWHDMFT-UHFFFAOYSA-N
XLogP0.91
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64893367
3-amino-N-propan-2-yl-N-propyloxolane-3-carboxamide
CID 64892499
3-amino-N,N-bis(2-ethoxyethyl)oxolane-3-carboxamide
CID 82966183
3-amino-N-ethyl-N-(2-methylpropyl)oxolane-3-carboxamide
CID 64892702
4-amino-N-(cyclopropylmethyl)-N-propyloxane-4-carboxamide
CID 115293756
3-amino-N-(2-hydroxy-2-methylpropyl)-N-methyloxolane-3-carboxamide
CID 79378741
1-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62096473
4-amino-N-[2-(methylamino)-2-oxoethyl]-N-propyloxane-4-carboxamide
CID 115294462
4-amino-N,N-diethyloxane-4-carboxamide
CID 115293439
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
3-amino-N-butan-2-yl-N-ethyloxolane-3-carboxamide
CID 64892703

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 64893368) is 3-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is CCCN(CC(F)(F)F)C(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is LCFYRGDRWHDMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-2-4-15(6-10(11,12)13)8(16)9(14)3-5-17-7-9/h2-7,14H2,1H3.
What are the key properties of 3-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
3-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 64893368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).