1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,2-difluoroethyl)ethane-1,2-diamine

C8H10BrClF2N2S — CID 102839801

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,2-difluoroethyl)ethane-1,2-diamine
SMILESNCC(NCC(F)F)c1cc(Br)c(Cl)s1
InChIInChI=1S/C8H10BrClF2N2S/c9-4-1-6(15-8(4)10)5(2-13)14-3-7(11)12/h1,5,7,14H,2-3,13H2
InChIKeyLEEXLZKHVNPREY-UHFFFAOYSA-N
MW319.60 g/mol
LogP3.02
Rot. Bonds5

About 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,2-difluoroethyl)ethane-1,2-diamine

1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,2-difluoroethyl)ethane-1,2-diamine (PubChem CID 102839801) has the molecular formula C8H10BrClF2N2S and a molecular weight of 319.60 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,2-difluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,2-difluoroethyl)ethane-1,2-diamine
PubChem CID102839801
Molecular FormulaC8H10BrClF2N2S
Molecular Weight319.60 g/mol
Exact Mass317.94
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,2-difluoroethyl)ethane-1,2-diamine
SMILESNCC(NCC(F)F)c1cc(Br)c(Cl)s1
InChIInChI=1S/C8H10BrClF2N2S/c9-4-1-6(15-8(4)10)5(2-13)14-3-7(11)12/h1,5,7,14H,2-3,13H2
InChIKeyLEEXLZKHVNPREY-UHFFFAOYSA-N
XLogP3.02
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.60
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,2-difluoroethyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,2-difluoroethyl)ethane-1,2-diamine (CID 102839801) is 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,2-difluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,2-difluoroethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,2-difluoroethyl)ethane-1,2-diamine is NCC(NCC(F)F)c1cc(Br)c(Cl)s1.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,2-difluoroethyl)ethane-1,2-diamine?
The InChIKey is LEEXLZKHVNPREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrClF2N2S/c9-4-1-6(15-8(4)10)5(2-13)14-3-7(11)12/h1,5,7,14H,2-3,13H2.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,2-difluoroethyl)ethane-1,2-diamine?
1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,2-difluoroethyl)ethane-1,2-diamine has a molecular weight of 319.60 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,2-difluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 102839801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).