[2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]methanamine

C13H11F2NS — CID 79517045

IUPAC[2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]methanamine
SMILESNCc1c(F)cccc1Sc1ccccc1F
InChIInChI=1S/C13H11F2NS/c14-10-5-3-7-12(9(10)8-16)17-13-6-2-1-4-11(13)15/h1-7H,8,16H2
InChIKeyLNWDNAIUEWKZER-UHFFFAOYSA-N
MW251.30 g/mol
LogP3.57
Rot. Bonds3

About [2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]methanamine

[2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]methanamine (PubChem CID 79517045) has the molecular formula C13H11F2NS and a molecular weight of 251.30 g/mol. Its IUPAC name is [2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]methanamine
PubChem CID79517045
Molecular FormulaC13H11F2NS
Molecular Weight251.30 g/mol
Exact Mass251.06
IUPAC Name[2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]methanamine
SMILESNCc1c(F)cccc1Sc1ccccc1F
InChIInChI=1S/C13H11F2NS/c14-10-5-3-7-12(9(10)8-16)17-13-6-2-1-4-11(13)15/h1-7H,8,16H2
InChIKeyLNWDNAIUEWKZER-UHFFFAOYSA-N
XLogP3.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-chloro-6-(2-fluorophenyl)sulfanylphenyl]ethanamine
CID 63819614
[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]methanamine
CID 79515180
[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-6-fluorophenyl]methanamine
CID 79517455
[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]methanamine
CID 62495474
3-(2-fluorophenyl)sulfanyl-2-methylaniline
CID 63063967
(1R)-1-[2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]ethanol
CID 78951910
[2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine
CID 79516548
[2-fluoro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine
CID 79516723
[2-chloro-4-(2-fluorophenyl)sulfanylphenyl]methanamine
CID 55154318
[4-(2-fluorophenyl)sulfanyl-2-methylphenyl]methanamine
CID 63804900
2-[(2-fluorophenyl)sulfanylmethyl]prop-2-en-1-amine
CID 103068055
[2-(2-fluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine
CID 107552247

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]methanamine?
The IUPAC name of [2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]methanamine (CID 79517045) is [2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]methanamine.
What is the SMILES notation for [2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]methanamine?
The canonical SMILES for [2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]methanamine is NCc1c(F)cccc1Sc1ccccc1F.
What is the InChIKey of [2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]methanamine?
The InChIKey is LNWDNAIUEWKZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NS/c14-10-5-3-7-12(9(10)8-16)17-13-6-2-1-4-11(13)15/h1-7H,8,16H2.
What are the key properties of [2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]methanamine?
[2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]methanamine has a molecular weight of 251.30 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]methanamine is sourced from PubChem (CID 79517045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).