N'-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]-N'-cyclopropylethane-1,2-diamine

C11H16BrFN2S — CID 169245522

IUPACN'-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]-N'-cyclopropylethane-1,2-diamine
SMILESCC(c1scc(Br)c1F)N(CCN)C1CC1
InChIInChI=1S/C11H16BrFN2S/c1-7(11-10(13)9(12)6-16-11)15(5-4-14)8-2-3-8/h6-8H,2-5,14H2,1H3
InChIKeyHUQLQQOHLXBIOR-UHFFFAOYSA-N
MW307.23 g/mol
LogP3.13
Rot. Bonds5

About N'-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]-N'-cyclopropylethane-1,2-diamine

N'-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]-N'-cyclopropylethane-1,2-diamine (PubChem CID 169245522) has the molecular formula C11H16BrFN2S and a molecular weight of 307.23 g/mol. Its IUPAC name is N'-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]-N'-cyclopropylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]-N'-cyclopropylethane-1,2-diamine
PubChem CID169245522
Molecular FormulaC11H16BrFN2S
Molecular Weight307.23 g/mol
Exact Mass306.02
IUPAC NameN'-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]-N'-cyclopropylethane-1,2-diamine
SMILESCC(c1scc(Br)c1F)N(CCN)C1CC1
InChIInChI=1S/C11H16BrFN2S/c1-7(11-10(13)9(12)6-16-11)15(5-4-14)8-2-3-8/h6-8H,2-5,14H2,1H3
InChIKeyHUQLQQOHLXBIOR-UHFFFAOYSA-N
XLogP3.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]-N'-cyclopropylethane-1,2-diamine?
The IUPAC name of N'-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]-N'-cyclopropylethane-1,2-diamine (CID 169245522) is N'-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]-N'-cyclopropylethane-1,2-diamine.
What is the SMILES notation for N'-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]-N'-cyclopropylethane-1,2-diamine?
The canonical SMILES for N'-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]-N'-cyclopropylethane-1,2-diamine is CC(c1scc(Br)c1F)N(CCN)C1CC1.
What is the InChIKey of N'-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]-N'-cyclopropylethane-1,2-diamine?
The InChIKey is HUQLQQOHLXBIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFN2S/c1-7(11-10(13)9(12)6-16-11)15(5-4-14)8-2-3-8/h6-8H,2-5,14H2,1H3.
What are the key properties of N'-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]-N'-cyclopropylethane-1,2-diamine?
N'-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]-N'-cyclopropylethane-1,2-diamine has a molecular weight of 307.23 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]-N'-cyclopropylethane-1,2-diamine is sourced from PubChem (CID 169245522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).