4-(difluoromethyl)-2-ethyl-2-methyloxan-4-amine

C9H17F2NO — CID 80605848

IUPAC4-(difluoromethyl)-2-ethyl-2-methyloxan-4-amine
SMILESCCC1(C)CC(N)(C(F)F)CCO1
InChIInChI=1S/C9H17F2NO/c1-3-8(2)6-9(12,7(10)11)4-5-13-8/h7H,3-6,12H2,1-2H3
InChIKeyZPXYWTTUPFCCCP-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.93
Rot. Bonds2

About 4-(difluoromethyl)-2-ethyl-2-methyloxan-4-amine

4-(difluoromethyl)-2-ethyl-2-methyloxan-4-amine (PubChem CID 80605848) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-ethyl-2-methyloxan-4-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-2-ethyl-2-methyloxan-4-amine
PubChem CID80605848
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name4-(difluoromethyl)-2-ethyl-2-methyloxan-4-amine
SMILESCCC1(C)CC(N)(C(F)F)CCO1
InChIInChI=1S/C9H17F2NO/c1-3-8(2)6-9(12,7(10)11)4-5-13-8/h7H,3-6,12H2,1-2H3
InChIKeyZPXYWTTUPFCCCP-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(difluoromethyl)-2-ethyl-2-methyloxan-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 4-(difluoromethyl)-2-ethyl-2-methyloxan-4-amine?
The IUPAC name of 4-(difluoromethyl)-2-ethyl-2-methyloxan-4-amine (CID 80605848) is 4-(difluoromethyl)-2-ethyl-2-methyloxan-4-amine.
What is the SMILES notation for 4-(difluoromethyl)-2-ethyl-2-methyloxan-4-amine?
The canonical SMILES for 4-(difluoromethyl)-2-ethyl-2-methyloxan-4-amine is CCC1(C)CC(N)(C(F)F)CCO1.
What is the InChIKey of 4-(difluoromethyl)-2-ethyl-2-methyloxan-4-amine?
The InChIKey is ZPXYWTTUPFCCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-3-8(2)6-9(12,7(10)11)4-5-13-8/h7H,3-6,12H2,1-2H3.
What are the key properties of 4-(difluoromethyl)-2-ethyl-2-methyloxan-4-amine?
4-(difluoromethyl)-2-ethyl-2-methyloxan-4-amine has a molecular weight of 193.24 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-ethyl-2-methyloxan-4-amine is sourced from PubChem (CID 80605848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).