[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]methanamine

C13H10F3NS — CID 43657658

IUPAC[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]methanamine
SMILESNCc1ccc(Sc2cc(F)ccc2F)c(F)c1
InChIInChI=1S/C13H10F3NS/c14-9-2-3-10(15)13(6-9)18-12-4-1-8(7-17)5-11(12)16/h1-6H,7,17H2
InChIKeyUGRILXXMOQNFMM-UHFFFAOYSA-N
MW269.29 g/mol
LogP3.71
Rot. Bonds3

About [4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]methanamine

[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]methanamine (PubChem CID 43657658) has the molecular formula C13H10F3NS and a molecular weight of 269.29 g/mol. Its IUPAC name is [4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]methanamine
PubChem CID43657658
Molecular FormulaC13H10F3NS
Molecular Weight269.29 g/mol
Exact Mass269.05
IUPAC Name[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]methanamine
SMILESNCc1ccc(Sc2cc(F)ccc2F)c(F)c1
InChIInChI=1S/C13H10F3NS/c14-9-2-3-10(15)13(6-9)18-12-4-1-8(7-17)5-11(12)16/h1-6H,7,17H2
InChIKeyUGRILXXMOQNFMM-UHFFFAOYSA-N
XLogP3.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2,5-difluorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine
CID 43530758
[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methanamine
CID 43657614
2-[4-(2,5-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine
CID 63818816
(1R)-1-[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]ethanamine
CID 63370213
[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]methanamine
CID 62647190
2-[4-(2,4-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine
CID 55240458
[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine
CID 61382947
[3-fluoro-4-(3-methylphenyl)sulfanylphenyl]methanamine
CID 61245088
[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]methanamine
CID 62495474
2-[6-(2,5-difluorophenyl)sulfanyl-3-pyridinyl]ethanamine
CID 80651796
[5-[(2,4-difluorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine
CID 107880481
[4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine
CID 81052393

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]methanamine?
The IUPAC name of [4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]methanamine (CID 43657658) is [4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]methanamine?
The canonical SMILES for [4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]methanamine is NCc1ccc(Sc2cc(F)ccc2F)c(F)c1.
What is the InChIKey of [4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]methanamine?
The InChIKey is UGRILXXMOQNFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NS/c14-9-2-3-10(15)13(6-9)18-12-4-1-8(7-17)5-11(12)16/h1-6H,7,17H2.
What are the key properties of [4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]methanamine?
[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]methanamine has a molecular weight of 269.29 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]methanamine is sourced from PubChem (CID 43657658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).