1,1-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine

C9H17F2NO2 — CID 102870037

IUPAC1,1-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine
SMILESCOC1(CNC(C)C(F)F)CCOC1
InChIInChI=1S/C9H17F2NO2/c1-7(8(10)11)12-5-9(13-2)3-4-14-6-9/h7-8,12H,3-6H2,1-2H3
InChIKeyTVIXPPBQWBIVKK-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.04
Rot. Bonds5

About 1,1-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine

1,1-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine (PubChem CID 102870037) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is 1,1-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine
PubChem CID102870037
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Name1,1-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine
SMILESCOC1(CNC(C)C(F)F)CCOC1
InChIInChI=1S/C9H17F2NO2/c1-7(8(10)11)12-5-9(13-2)3-4-14-6-9/h7-8,12H,3-6H2,1-2H3
InChIKeyTVIXPPBQWBIVKK-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 1,1-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-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 1,1-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine?
The IUPAC name of 1,1-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine (CID 102870037) is 1,1-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine is COC1(CNC(C)C(F)F)CCOC1.
What is the InChIKey of 1,1-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine?
The InChIKey is TVIXPPBQWBIVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-7(8(10)11)12-5-9(13-2)3-4-14-6-9/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 1,1-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine?
1,1-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-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 1,1-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 102870037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).