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

C8H15F2NS — CID 115020356

IUPAC4-(2,2-difluoropropyl)thian-3-amine
SMILESCC(F)(F)CC1CCSCC1N
InChIInChI=1S/C8H15F2NS/c1-8(9,10)4-6-2-3-12-5-7(6)11/h6-7H,2-5,11H2,1H3
InChIKeyQPEBWLBIKCDPSY-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.11
Rot. Bonds2

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

4-(2,2-difluoropropyl)thian-3-amine (PubChem CID 115020356) has the molecular formula C8H15F2NS and a molecular weight of 195.28 g/mol. Its IUPAC name is 4-(2,2-difluoropropyl)thian-3-amine.

Molecular Properties

Compound Name4-(2,2-difluoropropyl)thian-3-amine
PubChem CID115020356
Molecular FormulaC8H15F2NS
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC Name4-(2,2-difluoropropyl)thian-3-amine
SMILESCC(F)(F)CC1CCSCC1N
InChIInChI=1S/C8H15F2NS/c1-8(9,10)4-6-2-3-12-5-7(6)11/h6-7H,2-5,11H2,1H3
InChIKeyQPEBWLBIKCDPSY-UHFFFAOYSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.11
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)thian-3-amine?
The IUPAC name of 4-(2,2-difluoropropyl)thian-3-amine (CID 115020356) is 4-(2,2-difluoropropyl)thian-3-amine.
What is the SMILES notation for 4-(2,2-difluoropropyl)thian-3-amine?
The canonical SMILES for 4-(2,2-difluoropropyl)thian-3-amine is CC(F)(F)CC1CCSCC1N.
What is the InChIKey of 4-(2,2-difluoropropyl)thian-3-amine?
The InChIKey is QPEBWLBIKCDPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NS/c1-8(9,10)4-6-2-3-12-5-7(6)11/h6-7H,2-5,11H2,1H3.
What are the key properties of 4-(2,2-difluoropropyl)thian-3-amine?
4-(2,2-difluoropropyl)thian-3-amine has a molecular weight of 195.28 g/mol, XLogP of 2.11, 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)thian-3-amine is sourced from PubChem (CID 115020356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).