3-(2,2-difluoroethoxy)-N-ethyloxan-4-amine

C9H17F2NO2 — CID 82004456

IUPAC3-(2,2-difluoroethoxy)-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1OCC(F)F
InChIInChI=1S/C9H17F2NO2/c1-2-12-7-3-4-13-5-8(7)14-6-9(10)11/h7-9,12H,2-6H2,1H3
InChIKeyPVVGBZGQOFYCLX-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.04
Rot. Bonds5

About 3-(2,2-difluoroethoxy)-N-ethyloxan-4-amine

3-(2,2-difluoroethoxy)-N-ethyloxan-4-amine (PubChem CID 82004456) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-ethyloxan-4-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-ethyloxan-4-amine
PubChem CID82004456
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Name3-(2,2-difluoroethoxy)-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1OCC(F)F
InChIInChI=1S/C9H17F2NO2/c1-2-12-7-3-4-13-5-8(7)14-6-9(10)11/h7-9,12H,2-6H2,1H3
InChIKeyPVVGBZGQOFYCLX-UHFFFAOYSA-N
XLogP1.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,2-difluoroethoxy)-N-ethyloxan-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

Related Compounds

7-(2,2-difluoroethoxy)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 82004248
N-ethyl-2-(oxolan-3-yloxy)cyclohexan-1-amine
CID 63559041
3-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyloxan-4-amine
CID 103532587
N-ethyl-3-(2-methylpropylsulfanyl)oxan-4-amine
CID 64612141
3-(2-propoxyethoxy)-N-propyloxan-4-amine
CID 55234053
3-(3,3-dimethylbutoxy)-N-propyloxan-4-amine
CID 66232235
N-ethyl-3-[[2-methylpropyl(propan-2-yl)amino]methyl]oxan-4-amine
CID 103059669
N-(3-ethoxyoxan-4-yl)acetamide
CID 131089007
2-(2,2-difluoroethoxy)-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 82003841
N-ethyl-3-[(5-methyloxolan-2-yl)methyl]oxan-4-amine
CID 106469406
N-ethyl-2-(2-ethylbutoxy)cyclooctan-1-amine
CID 114208332
3-N-cyclopropyl-4-N-ethyl-3-N-(3-methylbutyl)oxane-3,4-diamine
CID 78976627

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-ethyloxan-4-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-ethyloxan-4-amine (CID 82004456) is 3-(2,2-difluoroethoxy)-N-ethyloxan-4-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-ethyloxan-4-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-ethyloxan-4-amine is CCNC1CCOCC1OCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-ethyloxan-4-amine?
The InChIKey is PVVGBZGQOFYCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-2-12-7-3-4-13-5-8(7)14-6-9(10)11/h7-9,12H,2-6H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-ethyloxan-4-amine?
3-(2,2-difluoroethoxy)-N-ethyloxan-4-amine has a molecular weight of 209.24 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-ethyloxan-4-amine is sourced from PubChem (CID 82004456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).