2,2-difluoro-3-phenylsulfanylpropan-1-amine

C9H11F2NS — CID 105455412

IUPAC2,2-difluoro-3-phenylsulfanylpropan-1-amine
SMILESNCC(F)(F)CSc1ccccc1
InChIInChI=1S/C9H11F2NS/c10-9(11,6-12)7-13-8-4-2-1-3-5-8/h1-5H,6-7,12H2
InChIKeyXCHGGAKIGZQOLA-UHFFFAOYSA-N
MW203.26 g/mol
LogP2.37
Rot. Bonds4

About 2,2-difluoro-3-phenylsulfanylpropan-1-amine

2,2-difluoro-3-phenylsulfanylpropan-1-amine (PubChem CID 105455412) has the molecular formula C9H11F2NS and a molecular weight of 203.26 g/mol. Its IUPAC name is 2,2-difluoro-3-phenylsulfanylpropan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-3-phenylsulfanylpropan-1-amine
PubChem CID105455412
Molecular FormulaC9H11F2NS
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name2,2-difluoro-3-phenylsulfanylpropan-1-amine
SMILESNCC(F)(F)CSc1ccccc1
InChIInChI=1S/C9H11F2NS/c10-9(11,6-12)7-13-8-4-2-1-3-5-8/h1-5H,6-7,12H2
InChIKeyXCHGGAKIGZQOLA-UHFFFAOYSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-phenylsulfanylpropan-1-amine?
The IUPAC name of 2,2-difluoro-3-phenylsulfanylpropan-1-amine (CID 105455412) is 2,2-difluoro-3-phenylsulfanylpropan-1-amine.
What is the SMILES notation for 2,2-difluoro-3-phenylsulfanylpropan-1-amine?
The canonical SMILES for 2,2-difluoro-3-phenylsulfanylpropan-1-amine is NCC(F)(F)CSc1ccccc1.
What is the InChIKey of 2,2-difluoro-3-phenylsulfanylpropan-1-amine?
The InChIKey is XCHGGAKIGZQOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NS/c10-9(11,6-12)7-13-8-4-2-1-3-5-8/h1-5H,6-7,12H2.
What are the key properties of 2,2-difluoro-3-phenylsulfanylpropan-1-amine?
2,2-difluoro-3-phenylsulfanylpropan-1-amine has a molecular weight of 203.26 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-phenylsulfanylpropan-1-amine is sourced from PubChem (CID 105455412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).