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

C14H12F3NS — CID 43530758

IUPAC[4-[(2,5-difluorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine
SMILESNCc1ccc(CSc2cc(F)ccc2F)c(F)c1
InChIInChI=1S/C14H12F3NS/c15-11-3-4-12(16)14(6-11)19-8-10-2-1-9(7-18)5-13(10)17/h1-6H,7-8,18H2
InChIKeyLYIDBIDADLHMKE-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.85
Rot. Bonds4

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

[4-[(2,5-difluorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine (PubChem CID 43530758) has the molecular formula C14H12F3NS and a molecular weight of 283.32 g/mol. Its IUPAC name is [4-[(2,5-difluorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-[(2,5-difluorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine
PubChem CID43530758
Molecular FormulaC14H12F3NS
Molecular Weight283.32 g/mol
Exact Mass283.06
IUPAC Name[4-[(2,5-difluorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine
SMILESNCc1ccc(CSc2cc(F)ccc2F)c(F)c1
InChIInChI=1S/C14H12F3NS/c15-11-3-4-12(16)14(6-11)19-8-10-2-1-9(7-18)5-13(10)17/h1-6H,7-8,18H2
InChIKeyLYIDBIDADLHMKE-UHFFFAOYSA-N
XLogP3.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]methanamine
CID 43657658
[3-fluoro-4-[(2-methoxyphenyl)sulfanylmethyl]phenyl]methanamine
CID 61291113
[4-[(3-chlorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine
CID 62645603
[5-[(2,4-difluorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine
CID 107880481
[4-(butan-2-ylsulfanylmethyl)-3-fluorophenyl]methanamine
CID 43530004
[4-[(4-chloro-2-fluorophenyl)methylsulfanyl]phenyl]methanamine
CID 114859715
[4-(benzylsulfanylmethyl)-3-fluorophenyl]methanamine
CID 43530216
8-[(2,5-difluorophenyl)sulfanylmethyl]quinolin-5-amine
CID 43518973
4-(2,5-difluorophenyl)sulfanylbutan-1-amine
CID 43530759
[3-fluoro-4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine
CID 62268739
2-[(4-chlorophenyl)methylsulfanyl]-4-fluoroaniline
CID 79147531
5-[(2,5-difluorophenyl)sulfanylmethyl]-2-fluorobenzoic acid
CID 107881371

Frequently Asked Questions

What is the IUPAC name of [4-[(2,5-difluorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine?
The IUPAC name of [4-[(2,5-difluorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine (CID 43530758) is [4-[(2,5-difluorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-[(2,5-difluorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine?
The canonical SMILES for [4-[(2,5-difluorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine is NCc1ccc(CSc2cc(F)ccc2F)c(F)c1.
What is the InChIKey of [4-[(2,5-difluorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine?
The InChIKey is LYIDBIDADLHMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NS/c15-11-3-4-12(16)14(6-11)19-8-10-2-1-9(7-18)5-13(10)17/h1-6H,7-8,18H2.
What are the key properties of [4-[(2,5-difluorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine?
[4-[(2,5-difluorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine has a molecular weight of 283.32 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,5-difluorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine is sourced from PubChem (CID 43530758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).