N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-difluoroethanamine

C7H7BrClF2NS — CID 102836971

IUPACN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-difluoroethanamine
SMILESFC(F)CNCc1cc(Br)c(Cl)s1
InChIInChI=1S/C7H7BrClF2NS/c8-5-1-4(13-7(5)9)2-12-3-6(10)11/h1,6,12H,2-3H2
InChIKeyRFCJSQAQWAZDTA-UHFFFAOYSA-N
MW290.56 g/mol
LogP3.52
Rot. Bonds4

About N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-difluoroethanamine

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-difluoroethanamine (PubChem CID 102836971) has the molecular formula C7H7BrClF2NS and a molecular weight of 290.56 g/mol. Its IUPAC name is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-difluoroethanamine
PubChem CID102836971
Molecular FormulaC7H7BrClF2NS
Molecular Weight290.56 g/mol
Exact Mass288.91
IUPAC NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-difluoroethanamine
SMILESFC(F)CNCc1cc(Br)c(Cl)s1
InChIInChI=1S/C7H7BrClF2NS/c8-5-1-4(13-7(5)9)2-12-3-6(10)11/h1,6,12H,2-3H2
InChIKeyRFCJSQAQWAZDTA-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.56
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-difluoroethanamine (CID 102836971) is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-difluoroethanamine is FC(F)CNCc1cc(Br)c(Cl)s1.
What is the InChIKey of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-difluoroethanamine?
The InChIKey is RFCJSQAQWAZDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClF2NS/c8-5-1-4(13-7(5)9)2-12-3-6(10)11/h1,6,12H,2-3H2.
What are the key properties of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-difluoroethanamine?
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-difluoroethanamine has a molecular weight of 290.56 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 102836971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).