4-(2,2-difluoropropyl)thiolan-3-amine

C7H13F2NS — CID 115015966

IUPAC4-(2,2-difluoropropyl)thiolan-3-amine
SMILESCC(F)(F)CC1CSCC1N
InChIInChI=1S/C7H13F2NS/c1-7(8,9)2-5-3-11-4-6(5)10/h5-6H,2-4,10H2,1H3
InChIKeySXWORPQDAOXHSA-UHFFFAOYSA-N
MW181.25 g/mol
LogP1.72
Rot. Bonds2

About 4-(2,2-difluoropropyl)thiolan-3-amine

4-(2,2-difluoropropyl)thiolan-3-amine (PubChem CID 115015966) has the molecular formula C7H13F2NS and a molecular weight of 181.25 g/mol. Its IUPAC name is 4-(2,2-difluoropropyl)thiolan-3-amine.

Molecular Properties

Compound Name4-(2,2-difluoropropyl)thiolan-3-amine
PubChem CID115015966
Molecular FormulaC7H13F2NS
Molecular Weight181.25 g/mol
Exact Mass181.07
IUPAC Name4-(2,2-difluoropropyl)thiolan-3-amine
SMILESCC(F)(F)CC1CSCC1N
InChIInChI=1S/C7H13F2NS/c1-7(8,9)2-5-3-11-4-6(5)10/h5-6H,2-4,10H2,1H3
InChIKeySXWORPQDAOXHSA-UHFFFAOYSA-N
XLogP1.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoropropyl)thiolan-3-amine?
The IUPAC name of 4-(2,2-difluoropropyl)thiolan-3-amine (CID 115015966) is 4-(2,2-difluoropropyl)thiolan-3-amine.
What is the SMILES notation for 4-(2,2-difluoropropyl)thiolan-3-amine?
The canonical SMILES for 4-(2,2-difluoropropyl)thiolan-3-amine is CC(F)(F)CC1CSCC1N.
What is the InChIKey of 4-(2,2-difluoropropyl)thiolan-3-amine?
The InChIKey is SXWORPQDAOXHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NS/c1-7(8,9)2-5-3-11-4-6(5)10/h5-6H,2-4,10H2,1H3.
What are the key properties of 4-(2,2-difluoropropyl)thiolan-3-amine?
4-(2,2-difluoropropyl)thiolan-3-amine has a molecular weight of 181.25 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoropropyl)thiolan-3-amine is sourced from PubChem (CID 115015966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).