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

C14H12F3NS — CID 107880481

IUPAC[5-[(2,4-difluorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine
SMILESNCc1cc(CSc2ccc(F)cc2F)ccc1F
InChIInChI=1S/C14H12F3NS/c15-11-2-4-14(13(17)6-11)19-8-9-1-3-12(16)10(5-9)7-18/h1-6H,7-8,18H2
InChIKeyYPXMBHNTWPNALC-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.85
Rot. Bonds4

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

[5-[(2,4-difluorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine (PubChem CID 107880481) has the molecular formula C14H12F3NS and a molecular weight of 283.32 g/mol. Its IUPAC name is [5-[(2,4-difluorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[5-[(2,4-difluorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine
PubChem CID107880481
Molecular FormulaC14H12F3NS
Molecular Weight283.32 g/mol
Exact Mass283.06
IUPAC Name[5-[(2,4-difluorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine
SMILESNCc1cc(CSc2ccc(F)cc2F)ccc1F
InChIInChI=1S/C14H12F3NS/c15-11-2-4-14(13(17)6-11)19-8-9-1-3-12(16)10(5-9)7-18/h1-6H,7-8,18H2
InChIKeyYPXMBHNTWPNALC-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

2-(2,4-difluorophenyl)sulfanylethanamine
CID 43345434
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
[2-fluoro-5-(3-methylbutan-2-ylsulfanylmethyl)phenyl]methanamine
CID 107880581
[4-[(2,5-difluorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine
CID 43530758
2-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine
CID 114792466
2-[3-(aminomethyl)-4-fluorophenyl]ethanamine
CID 55255604
1-[(2,3-difluorophenyl)methylsulfanyl]-2,4-difluorobenzene
CID 52520219
[2-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]phenyl]methanamine
CID 107880566
[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]methanamine
CID 43657658
[5-[(2-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107879060
2-chloro-4-[(2,4-difluorophenyl)sulfanylmethyl]pyridine
CID 62045799
3-[(2,4-difluorophenyl)sulfanylmethyl]pyridin-2-amine
CID 62468556

Frequently Asked Questions

What is the IUPAC name of [5-[(2,4-difluorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine?
The IUPAC name of [5-[(2,4-difluorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine (CID 107880481) is [5-[(2,4-difluorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine.
What is the SMILES notation for [5-[(2,4-difluorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine?
The canonical SMILES for [5-[(2,4-difluorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine is NCc1cc(CSc2ccc(F)cc2F)ccc1F.
What is the InChIKey of [5-[(2,4-difluorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine?
The InChIKey is YPXMBHNTWPNALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NS/c15-11-2-4-14(13(17)6-11)19-8-9-1-3-12(16)10(5-9)7-18/h1-6H,7-8,18H2.
What are the key properties of [5-[(2,4-difluorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine?
[5-[(2,4-difluorophenyl)sulfanylmethyl]-2-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 [5-[(2,4-difluorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine is sourced from PubChem (CID 107880481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).