3-fluoro-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine

C10H20FNO — CID 105443905

IUPAC3-fluoro-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine
SMILESCC(C)(CN)C(F)C1CCOCC1
InChIInChI=1S/C10H20FNO/c1-10(2,7-12)9(11)8-3-5-13-6-4-8/h8-9H,3-7,12H2,1-2H3
InChIKeyWCPFFOPUYAGQCE-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.74
Rot. Bonds3

About 3-fluoro-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine

3-fluoro-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine (PubChem CID 105443905) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 3-fluoro-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-fluoro-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine
PubChem CID105443905
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name3-fluoro-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine
SMILESCC(C)(CN)C(F)C1CCOCC1
InChIInChI=1S/C10H20FNO/c1-10(2,7-12)9(11)8-3-5-13-6-4-8/h8-9H,3-7,12H2,1-2H3
InChIKeyWCPFFOPUYAGQCE-UHFFFAOYSA-N
XLogP1.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-2,2-dimethyl-3-(oxan-4-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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine?
The IUPAC name of 3-fluoro-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine (CID 105443905) is 3-fluoro-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine.
What is the SMILES notation for 3-fluoro-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine?
The canonical SMILES for 3-fluoro-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine is CC(C)(CN)C(F)C1CCOCC1.
What is the InChIKey of 3-fluoro-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine?
The InChIKey is WCPFFOPUYAGQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-10(2,7-12)9(11)8-3-5-13-6-4-8/h8-9H,3-7,12H2,1-2H3.
What are the key properties of 3-fluoro-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine?
3-fluoro-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine has a molecular weight of 189.27 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine is sourced from PubChem (CID 105443905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).