2,2-difluoro-3-(oxan-3-yl)propan-1-amine

C8H15F2NO — CID 105437937

IUPAC2,2-difluoro-3-(oxan-3-yl)propan-1-amine
SMILESNCC(F)(F)CC1CCCOC1
InChIInChI=1S/C8H15F2NO/c9-8(10,6-11)4-7-2-1-3-12-5-7/h7H,1-6,11H2
InChIKeyKFAXQCBMNWWROL-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.40
Rot. Bonds3

About 2,2-difluoro-3-(oxan-3-yl)propan-1-amine

2,2-difluoro-3-(oxan-3-yl)propan-1-amine (PubChem CID 105437937) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 2,2-difluoro-3-(oxan-3-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-3-(oxan-3-yl)propan-1-amine
PubChem CID105437937
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name2,2-difluoro-3-(oxan-3-yl)propan-1-amine
SMILESNCC(F)(F)CC1CCCOC1
InChIInChI=1S/C8H15F2NO/c9-8(10,6-11)4-7-2-1-3-12-5-7/h7H,1-6,11H2
InChIKeyKFAXQCBMNWWROL-UHFFFAOYSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-3-(oxan-3-yl)propan-1-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

CID 129375609
CID 129375609
CID 129375610
CID 129375610
CID 57429865
CID 57429865
CID 62505704
CID 62505704
CID 62505889
CID 62505889
CID 62505913
CID 62505913
CID 62604263
CID 62604263
CID 62723497
CID 62723497
CID 65329702
CID 65329702
CID 65331796
CID 65331796
CID 79953746
CID 79953746
CID 83686082
CID 83686082

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(oxan-3-yl)propan-1-amine?
The IUPAC name of 2,2-difluoro-3-(oxan-3-yl)propan-1-amine (CID 105437937) is 2,2-difluoro-3-(oxan-3-yl)propan-1-amine.
What is the SMILES notation for 2,2-difluoro-3-(oxan-3-yl)propan-1-amine?
The canonical SMILES for 2,2-difluoro-3-(oxan-3-yl)propan-1-amine is NCC(F)(F)CC1CCCOC1.
What is the InChIKey of 2,2-difluoro-3-(oxan-3-yl)propan-1-amine?
The InChIKey is KFAXQCBMNWWROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c9-8(10,6-11)4-7-2-1-3-12-5-7/h7H,1-6,11H2.
What are the key properties of 2,2-difluoro-3-(oxan-3-yl)propan-1-amine?
2,2-difluoro-3-(oxan-3-yl)propan-1-amine has a molecular weight of 179.21 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(oxan-3-yl)propan-1-amine is sourced from PubChem (CID 105437937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).