N-(2,2-difluoroethyl)-N,2-dimethyloxan-4-amine

C9H17F2NO — CID 130666717

IUPACN-(2,2-difluoroethyl)-N,2-dimethyloxan-4-amine
SMILESCC1CC(N(C)CC(F)F)CCO1
InChIInChI=1S/C9H17F2NO/c1-7-5-8(3-4-13-7)12(2)6-9(10)11/h7-9H,3-6H2,1-2H3
InChIKeyNNRPMUAQBKHBMP-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.75
Rot. Bonds3

About N-(2,2-difluoroethyl)-N,2-dimethyloxan-4-amine

N-(2,2-difluoroethyl)-N,2-dimethyloxan-4-amine (PubChem CID 130666717) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N,2-dimethyloxan-4-amine
PubChem CID130666717
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC NameN-(2,2-difluoroethyl)-N,2-dimethyloxan-4-amine
SMILESCC1CC(N(C)CC(F)F)CCO1
InChIInChI=1S/C9H17F2NO/c1-7-5-8(3-4-13-7)12(2)6-9(10)11/h7-9H,3-6H2,1-2H3
InChIKeyNNRPMUAQBKHBMP-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2,2-difluoroethyl)-N,2-dimethyloxan-4-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 N-(2,2-difluoroethyl)-N,2-dimethyloxan-4-amine?
The IUPAC name of N-(2,2-difluoroethyl)-N,2-dimethyloxan-4-amine (CID 130666717) is N-(2,2-difluoroethyl)-N,2-dimethyloxan-4-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-N,2-dimethyloxan-4-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-N,2-dimethyloxan-4-amine is CC1CC(N(C)CC(F)F)CCO1.
What is the InChIKey of N-(2,2-difluoroethyl)-N,2-dimethyloxan-4-amine?
The InChIKey is NNRPMUAQBKHBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7-5-8(3-4-13-7)12(2)6-9(10)11/h7-9H,3-6H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-N,2-dimethyloxan-4-amine?
N-(2,2-difluoroethyl)-N,2-dimethyloxan-4-amine has a molecular weight of 193.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N,2-dimethyloxan-4-amine is sourced from PubChem (CID 130666717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).