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

C9H17F2NS — CID 102869805

IUPAC1,1-difluoro-N-[(2-methylthiolan-2-yl)methyl]propan-2-amine
SMILESCC(NCC1(C)CCCS1)C(F)F
InChIInChI=1S/C9H17F2NS/c1-7(8(10)11)12-6-9(2)4-3-5-13-9/h7-8,12H,3-6H2,1-2H3
InChIKeyABLYFXCRJHEHTF-UHFFFAOYSA-N
MW209.30 g/mol
LogP2.52
Rot. Bonds4

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

1,1-difluoro-N-[(2-methylthiolan-2-yl)methyl]propan-2-amine (PubChem CID 102869805) has the molecular formula C9H17F2NS and a molecular weight of 209.30 g/mol. Its IUPAC name is 1,1-difluoro-N-[(2-methylthiolan-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-[(2-methylthiolan-2-yl)methyl]propan-2-amine
PubChem CID102869805
Molecular FormulaC9H17F2NS
Molecular Weight209.30 g/mol
Exact Mass209.10
IUPAC Name1,1-difluoro-N-[(2-methylthiolan-2-yl)methyl]propan-2-amine
SMILESCC(NCC1(C)CCCS1)C(F)F
InChIInChI=1S/C9H17F2NS/c1-7(8(10)11)12-6-9(2)4-3-5-13-9/h7-8,12H,3-6H2,1-2H3
InChIKeyABLYFXCRJHEHTF-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1-difluoro-N-[(2-methylthiolan-2-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-[(2-methylthiolan-2-yl)methyl]propan-2-amine?
The IUPAC name of 1,1-difluoro-N-[(2-methylthiolan-2-yl)methyl]propan-2-amine (CID 102869805) is 1,1-difluoro-N-[(2-methylthiolan-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-[(2-methylthiolan-2-yl)methyl]propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-[(2-methylthiolan-2-yl)methyl]propan-2-amine is CC(NCC1(C)CCCS1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[(2-methylthiolan-2-yl)methyl]propan-2-amine?
The InChIKey is ABLYFXCRJHEHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NS/c1-7(8(10)11)12-6-9(2)4-3-5-13-9/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 1,1-difluoro-N-[(2-methylthiolan-2-yl)methyl]propan-2-amine?
1,1-difluoro-N-[(2-methylthiolan-2-yl)methyl]propan-2-amine has a molecular weight of 209.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[(2-methylthiolan-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 102869805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).