1-(4-bromo-5-chlorothiophen-2-yl)-N-(3-fluorophenyl)ethane-1,2-diamine

C12H11BrClFN2S — CID 102839520

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-N-(3-fluorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1cccc(F)c1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C12H11BrClFN2S/c13-9-5-11(18-12(9)14)10(6-16)17-8-3-1-2-7(15)4-8/h1-5,10,17H,6,16H2
InChIKeyQJJRAZZIDFJHBU-UHFFFAOYSA-N
MW349.66 g/mol
LogP4.41
Rot. Bonds4

About 1-(4-bromo-5-chlorothiophen-2-yl)-N-(3-fluorophenyl)ethane-1,2-diamine

1-(4-bromo-5-chlorothiophen-2-yl)-N-(3-fluorophenyl)ethane-1,2-diamine (PubChem CID 102839520) has the molecular formula C12H11BrClFN2S and a molecular weight of 349.66 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-N-(3-fluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-N-(3-fluorophenyl)ethane-1,2-diamine
PubChem CID102839520
Molecular FormulaC12H11BrClFN2S
Molecular Weight349.66 g/mol
Exact Mass347.95
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-N-(3-fluorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1cccc(F)c1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C12H11BrClFN2S/c13-9-5-11(18-12(9)14)10(6-16)17-8-3-1-2-7(15)4-8/h1-5,10,17H,6,16H2
InChIKeyQJJRAZZIDFJHBU-UHFFFAOYSA-N
XLogP4.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.66
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 65382973
N-(4-bromo-3-chlorophenyl)-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine
CID 107619632
1-(5-bromothiophen-2-yl)-N-(3-chlorophenyl)ethane-1,2-diamine
CID 65385499
1-(4-bromo-2-fluorophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 65383822
1-(4-bromo-5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine
CID 102839484
1-(4,5-dibromothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 102839565
N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-bromophenyl)ethyl]propan-1-amine
CID 102828771
methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-fluoroanilino)acetate
CID 102840732
(4-bromo-5-chlorothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 102828053
N-(dichloromethyl)-3-fluoroaniline
CID 174909266
methyl 2-anilino-2-(4-bromo-5-chlorothiophen-2-yl)acetate
CID 102840677
2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)ethanol
CID 81440489

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-N-(3-fluorophenyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-N-(3-fluorophenyl)ethane-1,2-diamine (CID 102839520) is 1-(4-bromo-5-chlorothiophen-2-yl)-N-(3-fluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-N-(3-fluorophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-N-(3-fluorophenyl)ethane-1,2-diamine is NCC(Nc1cccc(F)c1)c1cc(Br)c(Cl)s1.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-N-(3-fluorophenyl)ethane-1,2-diamine?
The InChIKey is QJJRAZZIDFJHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClFN2S/c13-9-5-11(18-12(9)14)10(6-16)17-8-3-1-2-7(15)4-8/h1-5,10,17H,6,16H2.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-N-(3-fluorophenyl)ethane-1,2-diamine?
1-(4-bromo-5-chlorothiophen-2-yl)-N-(3-fluorophenyl)ethane-1,2-diamine has a molecular weight of 349.66 g/mol, XLogP of 4.41, 4 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-(3-fluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 102839520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).