[4-(3-bromophenyl)sulfanyl-3,5-difluorophenyl]methanamine

C13H10BrF2NS — CID 63808289

IUPAC[4-(3-bromophenyl)sulfanyl-3,5-difluorophenyl]methanamine
SMILESNCc1cc(F)c(Sc2cccc(Br)c2)c(F)c1
InChIInChI=1S/C13H10BrF2NS/c14-9-2-1-3-10(6-9)18-13-11(15)4-8(7-17)5-12(13)16/h1-6H,7,17H2
InChIKeyOXRAVAZJGJYEPL-UHFFFAOYSA-N
MW330.20 g/mol
LogP4.34
Rot. Bonds3

About [4-(3-bromophenyl)sulfanyl-3,5-difluorophenyl]methanamine

[4-(3-bromophenyl)sulfanyl-3,5-difluorophenyl]methanamine (PubChem CID 63808289) has the molecular formula C13H10BrF2NS and a molecular weight of 330.20 g/mol. Its IUPAC name is [4-(3-bromophenyl)sulfanyl-3,5-difluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(3-bromophenyl)sulfanyl-3,5-difluorophenyl]methanamine
PubChem CID63808289
Molecular FormulaC13H10BrF2NS
Molecular Weight330.20 g/mol
Exact Mass328.97
IUPAC Name[4-(3-bromophenyl)sulfanyl-3,5-difluorophenyl]methanamine
SMILESNCc1cc(F)c(Sc2cccc(Br)c2)c(F)c1
InChIInChI=1S/C13H10BrF2NS/c14-9-2-1-3-10(6-9)18-13-11(15)4-8(7-17)5-12(13)16/h1-6H,7,17H2
InChIKeyOXRAVAZJGJYEPL-UHFFFAOYSA-N
XLogP4.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(3-bromophenyl)sulfanyl-3,5-difluorophenyl]methanamine?
The IUPAC name of [4-(3-bromophenyl)sulfanyl-3,5-difluorophenyl]methanamine (CID 63808289) is [4-(3-bromophenyl)sulfanyl-3,5-difluorophenyl]methanamine.
What is the SMILES notation for [4-(3-bromophenyl)sulfanyl-3,5-difluorophenyl]methanamine?
The canonical SMILES for [4-(3-bromophenyl)sulfanyl-3,5-difluorophenyl]methanamine is NCc1cc(F)c(Sc2cccc(Br)c2)c(F)c1.
What is the InChIKey of [4-(3-bromophenyl)sulfanyl-3,5-difluorophenyl]methanamine?
The InChIKey is OXRAVAZJGJYEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NS/c14-9-2-1-3-10(6-9)18-13-11(15)4-8(7-17)5-12(13)16/h1-6H,7,17H2.
What are the key properties of [4-(3-bromophenyl)sulfanyl-3,5-difluorophenyl]methanamine?
[4-(3-bromophenyl)sulfanyl-3,5-difluorophenyl]methanamine has a molecular weight of 330.20 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-bromophenyl)sulfanyl-3,5-difluorophenyl]methanamine is sourced from PubChem (CID 63808289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).