2-N-propan-2-yl-6-(trifluoromethyl)oxepane-2,4-diamine

C10H19F3N2O — CID 134408977

IUPAC2-N-propan-2-yl-6-(trifluoromethyl)oxepane-2,4-diamine
SMILESCC(C)NC1CC(N)CC(C(F)(F)F)CO1
InChIInChI=1S/C10H19F3N2O/c1-6(2)15-9-4-8(14)3-7(5-16-9)10(11,12)13/h6-9,15H,3-5,14H2,1-2H3
InChIKeyBCQPBEJQOGCDRO-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.63
Rot. Bonds2

About 2-N-propan-2-yl-6-(trifluoromethyl)oxepane-2,4-diamine

2-N-propan-2-yl-6-(trifluoromethyl)oxepane-2,4-diamine (PubChem CID 134408977) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-N-propan-2-yl-6-(trifluoromethyl)oxepane-2,4-diamine.

Molecular Properties

Compound Name2-N-propan-2-yl-6-(trifluoromethyl)oxepane-2,4-diamine
PubChem CID134408977
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name2-N-propan-2-yl-6-(trifluoromethyl)oxepane-2,4-diamine
SMILESCC(C)NC1CC(N)CC(C(F)(F)F)CO1
InChIInChI=1S/C10H19F3N2O/c1-6(2)15-9-4-8(14)3-7(5-16-9)10(11,12)13/h6-9,15H,3-5,14H2,1-2H3
InChIKeyBCQPBEJQOGCDRO-UHFFFAOYSA-N
XLogP1.63
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-propan-2-yl-6-(trifluoromethyl)oxepane-2,4-diamine 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-N-propan-2-yl-6-(trifluoromethyl)oxepane-2,4-diamine?
The IUPAC name of 2-N-propan-2-yl-6-(trifluoromethyl)oxepane-2,4-diamine (CID 134408977) is 2-N-propan-2-yl-6-(trifluoromethyl)oxepane-2,4-diamine.
What is the SMILES notation for 2-N-propan-2-yl-6-(trifluoromethyl)oxepane-2,4-diamine?
The canonical SMILES for 2-N-propan-2-yl-6-(trifluoromethyl)oxepane-2,4-diamine is CC(C)NC1CC(N)CC(C(F)(F)F)CO1.
What is the InChIKey of 2-N-propan-2-yl-6-(trifluoromethyl)oxepane-2,4-diamine?
The InChIKey is BCQPBEJQOGCDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-6(2)15-9-4-8(14)3-7(5-16-9)10(11,12)13/h6-9,15H,3-5,14H2,1-2H3.
What are the key properties of 2-N-propan-2-yl-6-(trifluoromethyl)oxepane-2,4-diamine?
2-N-propan-2-yl-6-(trifluoromethyl)oxepane-2,4-diamine has a molecular weight of 240.27 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-propan-2-yl-6-(trifluoromethyl)oxepane-2,4-diamine is sourced from PubChem (CID 134408977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).