1-(3-bromothiophen-2-yl)-2-(2,2-difluorocyclopropyl)ethanamine

C9H10BrF2NS — CID 164660128

IUPAC1-(3-bromothiophen-2-yl)-2-(2,2-difluorocyclopropyl)ethanamine
SMILESNC(CC1CC1(F)F)c1sccc1Br
InChIInChI=1S/C9H10BrF2NS/c10-6-1-2-14-8(6)7(13)3-5-4-9(5,11)12/h1-2,5,7H,3-4,13H2
InChIKeyNAPMNIJZLJIPCW-UHFFFAOYSA-N
MW282.15 g/mol
LogP3.56
Rot. Bonds3

About 1-(3-bromothiophen-2-yl)-2-(2,2-difluorocyclopropyl)ethanamine

1-(3-bromothiophen-2-yl)-2-(2,2-difluorocyclopropyl)ethanamine (PubChem CID 164660128) has the molecular formula C9H10BrF2NS and a molecular weight of 282.15 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-(2,2-difluorocyclopropyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-(2,2-difluorocyclopropyl)ethanamine
PubChem CID164660128
Molecular FormulaC9H10BrF2NS
Molecular Weight282.15 g/mol
Exact Mass280.97
IUPAC Name1-(3-bromothiophen-2-yl)-2-(2,2-difluorocyclopropyl)ethanamine
SMILESNC(CC1CC1(F)F)c1sccc1Br
InChIInChI=1S/C9H10BrF2NS/c10-6-1-2-14-8(6)7(13)3-5-4-9(5,11)12/h1-2,5,7H,3-4,13H2
InChIKeyNAPMNIJZLJIPCW-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-(2,2-difluorocyclopropyl)ethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-(2,2-difluorocyclopropyl)ethanamine (CID 164660128) is 1-(3-bromothiophen-2-yl)-2-(2,2-difluorocyclopropyl)ethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-(2,2-difluorocyclopropyl)ethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-(2,2-difluorocyclopropyl)ethanamine is NC(CC1CC1(F)F)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-(2,2-difluorocyclopropyl)ethanamine?
The InChIKey is NAPMNIJZLJIPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2NS/c10-6-1-2-14-8(6)7(13)3-5-4-9(5,11)12/h1-2,5,7H,3-4,13H2.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-(2,2-difluorocyclopropyl)ethanamine?
1-(3-bromothiophen-2-yl)-2-(2,2-difluorocyclopropyl)ethanamine has a molecular weight of 282.15 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-(2,2-difluorocyclopropyl)ethanamine is sourced from PubChem (CID 164660128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).