2-(difluoromethylsulfanyl)propan-1-amine

C4H9F2NS — CID 66219617

IUPAC2-(difluoromethylsulfanyl)propan-1-amine
SMILESCC(CN)SC(F)F
InChIInChI=1S/C4H9F2NS/c1-3(2-7)8-4(5)6/h3-4H,2,7H2,1H3
InChIKeyWORIYDCSUVXRKV-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.29
Rot. Bonds3

About 2-(difluoromethylsulfanyl)propan-1-amine

2-(difluoromethylsulfanyl)propan-1-amine (PubChem CID 66219617) has the molecular formula C4H9F2NS and a molecular weight of 141.19 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)propan-1-amine
PubChem CID66219617
Molecular FormulaC4H9F2NS
Molecular Weight141.19 g/mol
Exact Mass141.04
IUPAC Name2-(difluoromethylsulfanyl)propan-1-amine
SMILESCC(CN)SC(F)F
InChIInChI=1S/C4H9F2NS/c1-3(2-7)8-4(5)6/h3-4H,2,7H2,1H3
InChIKeyWORIYDCSUVXRKV-UHFFFAOYSA-N
XLogP1.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)propan-1-amine?
The IUPAC name of 2-(difluoromethylsulfanyl)propan-1-amine (CID 66219617) is 2-(difluoromethylsulfanyl)propan-1-amine.
What is the SMILES notation for 2-(difluoromethylsulfanyl)propan-1-amine?
The canonical SMILES for 2-(difluoromethylsulfanyl)propan-1-amine is CC(CN)SC(F)F.
What is the InChIKey of 2-(difluoromethylsulfanyl)propan-1-amine?
The InChIKey is WORIYDCSUVXRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NS/c1-3(2-7)8-4(5)6/h3-4H,2,7H2,1H3.
What are the key properties of 2-(difluoromethylsulfanyl)propan-1-amine?
2-(difluoromethylsulfanyl)propan-1-amine has a molecular weight of 141.19 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)propan-1-amine is sourced from PubChem (CID 66219617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).