[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]methanamine

C13H10ClF2NS — CID 62495474

IUPAC[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]methanamine
SMILESNCc1c(Cl)cccc1Sc1cc(F)ccc1F
InChIInChI=1S/C13H10ClF2NS/c14-10-2-1-3-12(9(10)7-17)18-13-6-8(15)4-5-11(13)16/h1-6H,7,17H2
InChIKeyVOGRUJHPHCYZHZ-UHFFFAOYSA-N
MW285.75 g/mol
LogP4.23
Rot. Bonds3

About [2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]methanamine

[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]methanamine (PubChem CID 62495474) has the molecular formula C13H10ClF2NS and a molecular weight of 285.75 g/mol. Its IUPAC name is [2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]methanamine
PubChem CID62495474
Molecular FormulaC13H10ClF2NS
Molecular Weight285.75 g/mol
Exact Mass285.02
IUPAC Name[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]methanamine
SMILESNCc1c(Cl)cccc1Sc1cc(F)ccc1F
InChIInChI=1S/C13H10ClF2NS/c14-10-2-1-3-12(9(10)7-17)18-13-6-8(15)4-5-11(13)16/h1-6H,7,17H2
InChIKeyVOGRUJHPHCYZHZ-UHFFFAOYSA-N
XLogP4.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]-N-methylmethanamine
CID 63809424
2-[2-chloro-6-(2-fluorophenyl)sulfanylphenyl]ethanamine
CID 63819614
2-chloro-6-(2,5-difluorophenyl)sulfanylbenzaldehyde
CID 63804079
(2-chloro-6-methylsulfanylphenyl)methanamine
CID 62495314
[4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine
CID 81052393
[2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]methanamine
CID 79517045
[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]methanamine
CID 43657658
1-[2-(2,5-difluorophenyl)sulfanylphenyl]ethanamine
CID 43519087
2-(2,5-difluorophenyl)sulfanyl-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79522371
[2-chloro-6-(3,4-difluorophenyl)sulfanylphenyl]methanol
CID 63814768
[2-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanamine
CID 103494043
[2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 114848279

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]methanamine?
The IUPAC name of [2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]methanamine (CID 62495474) is [2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]methanamine.
What is the SMILES notation for [2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]methanamine?
The canonical SMILES for [2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]methanamine is NCc1c(Cl)cccc1Sc1cc(F)ccc1F.
What is the InChIKey of [2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]methanamine?
The InChIKey is VOGRUJHPHCYZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NS/c14-10-2-1-3-12(9(10)7-17)18-13-6-8(15)4-5-11(13)16/h1-6H,7,17H2.
What are the key properties of [2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]methanamine?
[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]methanamine has a molecular weight of 285.75 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]methanamine is sourced from PubChem (CID 62495474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).