2-(1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C10H19F3N2O — CID 62968309

IUPAC2-(1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)N1CCCOCC1
InChIInChI=1S/C10H19F3N2O/c1-9(7-14-8-10(11,12)13)15-3-2-5-16-6-4-15/h9,14H,2-8H2,1H3
InChIKeyGFPVDNGXFMTPBN-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.25
Rot. Bonds4

About 2-(1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62968309) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-(1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62968309
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name2-(1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)N1CCCOCC1
InChIInChI=1S/C10H19F3N2O/c1-9(7-14-8-10(11,12)13)15-3-2-5-16-6-4-15/h9,14H,2-8H2,1H3
InChIKeyGFPVDNGXFMTPBN-UHFFFAOYSA-N
XLogP1.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62968309) is 2-(1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)N1CCCOCC1.
What is the InChIKey of 2-(1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is GFPVDNGXFMTPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-9(7-14-8-10(11,12)13)15-3-2-5-16-6-4-15/h9,14H,2-8H2,1H3.
What are the key properties of 2-(1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 240.27 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62968309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).