4-(difluoromethyl)-2,2-dimethyloxan-4-amine

C8H15F2NO — CID 80604548

IUPAC4-(difluoromethyl)-2,2-dimethyloxan-4-amine
SMILESCC1(C)CC(N)(C(F)F)CCO1
InChIInChI=1S/C8H15F2NO/c1-7(2)5-8(11,6(9)10)3-4-12-7/h6H,3-5,11H2,1-2H3
InChIKeyKEFSTCNFVBIWBA-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.54
Rot. Bonds1

About 4-(difluoromethyl)-2,2-dimethyloxan-4-amine

4-(difluoromethyl)-2,2-dimethyloxan-4-amine (PubChem CID 80604548) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 4-(difluoromethyl)-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-2,2-dimethyloxan-4-amine
PubChem CID80604548
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name4-(difluoromethyl)-2,2-dimethyloxan-4-amine
SMILESCC1(C)CC(N)(C(F)F)CCO1
InChIInChI=1S/C8H15F2NO/c1-7(2)5-8(11,6(9)10)3-4-12-7/h6H,3-5,11H2,1-2H3
InChIKeyKEFSTCNFVBIWBA-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(difluoromethyl)-2,2-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 4-(difluoromethyl)-2,2-dimethyloxan-4-amine?
The IUPAC name of 4-(difluoromethyl)-2,2-dimethyloxan-4-amine (CID 80604548) is 4-(difluoromethyl)-2,2-dimethyloxan-4-amine.
What is the SMILES notation for 4-(difluoromethyl)-2,2-dimethyloxan-4-amine?
The canonical SMILES for 4-(difluoromethyl)-2,2-dimethyloxan-4-amine is CC1(C)CC(N)(C(F)F)CCO1.
What is the InChIKey of 4-(difluoromethyl)-2,2-dimethyloxan-4-amine?
The InChIKey is KEFSTCNFVBIWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-7(2)5-8(11,6(9)10)3-4-12-7/h6H,3-5,11H2,1-2H3.
What are the key properties of 4-(difluoromethyl)-2,2-dimethyloxan-4-amine?
4-(difluoromethyl)-2,2-dimethyloxan-4-amine has a molecular weight of 179.21 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 80604548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).