(1R)-1-[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]ethanamine

C14H12F3NS — CID 63370213

IUPAC(1R)-1-[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Sc2cc(F)ccc2F)c(F)c1
InChIInChI=1S/C14H12F3NS/c1-8(18)9-2-5-13(12(17)6-9)19-14-7-10(15)3-4-11(14)16/h2-8H,18H2,1H3/t8-/m1/s1
InChIKeyFWCXBJFAGJEFRM-MRVPVSSYSA-N
MW283.32 g/mol
LogP4.27
Rot. Bonds3

About (1R)-1-[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]ethanamine

(1R)-1-[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]ethanamine (PubChem CID 63370213) has the molecular formula C14H12F3NS and a molecular weight of 283.32 g/mol. Its IUPAC name is (1R)-1-[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]ethanamine
PubChem CID63370213
Molecular FormulaC14H12F3NS
Molecular Weight283.32 g/mol
Exact Mass283.06
IUPAC Name(1R)-1-[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Sc2cc(F)ccc2F)c(F)c1
InChIInChI=1S/C14H12F3NS/c1-8(18)9-2-5-13(12(17)6-9)19-14-7-10(15)3-4-11(14)16/h2-8H,18H2,1H3/t8-/m1/s1
InChIKeyFWCXBJFAGJEFRM-MRVPVSSYSA-N
XLogP4.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[3-chloro-4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine
CID 55184274
1-[4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine
CID 43167568
(1R)-1-[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]ethanamine
CID 63370337
1-[2-(2,5-difluorophenyl)sulfanylphenyl]ethanamine
CID 43519087
(1S)-1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]ethanol
CID 63812972
1-[4-(3-bromophenyl)sulfanyl-3-fluorophenyl]ethanamine
CID 55119530
[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]methanamine
CID 43657658
(1S)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]ethanamine
CID 78938915
1-[3-[(2,5-difluorophenyl)sulfanylmethyl]-4-methoxyphenyl]ethanamine
CID 64649644
1-[3-fluoro-4-(3-methylbutan-2-ylsulfanyl)phenyl]ethanamine
CID 107750740
1-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]ethanamine
CID 43189296
1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 43345496

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]ethanamine?
The IUPAC name of (1R)-1-[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]ethanamine (CID 63370213) is (1R)-1-[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]ethanamine is C[C@@H](N)c1ccc(Sc2cc(F)ccc2F)c(F)c1.
What is the InChIKey of (1R)-1-[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]ethanamine?
The InChIKey is FWCXBJFAGJEFRM-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H12F3NS/c1-8(18)9-2-5-13(12(17)6-9)19-14-7-10(15)3-4-11(14)16/h2-8H,18H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]ethanamine?
(1R)-1-[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]ethanamine has a molecular weight of 283.32 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]ethanamine is sourced from PubChem (CID 63370213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).