1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanamine

C14H12F3NS — CID 43345496

IUPAC1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanamine
SMILESCC(N)c1c(F)cccc1Sc1ccc(F)cc1F
InChIInChI=1S/C14H12F3NS/c1-8(18)14-10(16)3-2-4-13(14)19-12-6-5-9(15)7-11(12)17/h2-8H,18H2,1H3
InChIKeyGQKHYCLNSACVRA-UHFFFAOYSA-N
MW283.32 g/mol
LogP4.27
Rot. Bonds3

About 1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanamine

1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanamine (PubChem CID 43345496) has the molecular formula C14H12F3NS and a molecular weight of 283.32 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanamine
PubChem CID43345496
Molecular FormulaC14H12F3NS
Molecular Weight283.32 g/mol
Exact Mass283.06
IUPAC Name1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanamine
SMILESCC(N)c1c(F)cccc1Sc1ccc(F)cc1F
InChIInChI=1S/C14H12F3NS/c1-8(18)14-10(16)3-2-4-13(14)19-12-6-5-9(15)7-11(12)17/h2-8H,18H2,1H3
InChIKeyGQKHYCLNSACVRA-UHFFFAOYSA-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-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanol
CID 63814899
1-[2-(2,4-dimethylphenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 43103539
1-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]ethanamine
CID 43189296
(1S)-1-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]ethanamine
CID 78938825
1-[2-fluoro-6-(3-fluorophenoxy)phenyl]ethanamine
CID 43189230
1-[4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine
CID 43167568
(1R)-1-[3-chloro-4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine
CID 55184274
(1S)-1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 78938952
1-[2-fluoro-6-(2-methylfuran-3-yl)sulfanylphenyl]ethanamine
CID 114000808
(1R)-1-[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]ethanamine
CID 63370213
(1R)-1-[2-(4-bromophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 55184086
1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-amine
CID 112678597

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanamine?
The IUPAC name of 1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanamine (CID 43345496) is 1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanamine?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanamine is CC(N)c1c(F)cccc1Sc1ccc(F)cc1F.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanamine?
The InChIKey is GQKHYCLNSACVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NS/c1-8(18)14-10(16)3-2-4-13(14)19-12-6-5-9(15)7-11(12)17/h2-8H,18H2,1H3.
What are the key properties of 1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanamine?
1-[2-(2,4-difluorophenyl)sulfanyl-6-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 1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanamine is sourced from PubChem (CID 43345496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).