1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-amine

C15H14F3NS — CID 114932196

IUPAC1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-amine
SMILESNC(CSc1ccc(F)cc1)Cc1c(F)cccc1F
InChIInChI=1S/C15H14F3NS/c16-10-4-6-12(7-5-10)20-9-11(19)8-13-14(17)2-1-3-15(13)18/h1-7,11H,8-9,19H2
InChIKeyICFMCASYPPMHJE-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.77
Rot. Bonds5

About 1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-amine

1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-amine (PubChem CID 114932196) has the molecular formula C15H14F3NS and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-amine
PubChem CID114932196
Molecular FormulaC15H14F3NS
Molecular Weight297.35 g/mol
Exact Mass297.08
IUPAC Name1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-amine
SMILESNC(CSc1ccc(F)cc1)Cc1c(F)cccc1F
InChIInChI=1S/C15H14F3NS/c16-10-4-6-12(7-5-10)20-9-11(19)8-13-14(17)2-1-3-15(13)18/h1-7,11H,8-9,19H2
InChIKeyICFMCASYPPMHJE-UHFFFAOYSA-N
XLogP3.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-amine
CID 114932224
1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 114931542
1-(4-fluorophenyl)sulfanyl-3-(2-methoxyphenyl)propan-2-amine
CID 66070984
1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 66158625
1-(4-chlorophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-amine
CID 66144761
1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-ol
CID 114931546
1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)propan-2-amine
CID 114932102
1-(4-chlorophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine
CID 66145347
(2S)-1-(4-fluorophenyl)sulfanylpropan-2-amine
CID 95436389
1-(4-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine
CID 66056883
1-cyclopentylsulfanyl-3-(2,6-difluorophenyl)propan-2-amine
CID 114932106
1-(4-chlorophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105374048

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-amine (CID 114932196) is 1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-amine is NC(CSc1ccc(F)cc1)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-amine?
The InChIKey is ICFMCASYPPMHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NS/c16-10-4-6-12(7-5-10)20-9-11(19)8-13-14(17)2-1-3-15(13)18/h1-7,11H,8-9,19H2.
What are the key properties of 1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-amine?
1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-amine has a molecular weight of 297.35 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 114932196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).