N-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]cyclopropanamine

C9H11BrFNS — CID 169245653

IUPACN-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]cyclopropanamine
SMILESCC(NC1CC1)c1scc(Br)c1F
InChIInChI=1S/C9H11BrFNS/c1-5(12-6-2-3-6)9-8(11)7(10)4-13-9/h4-6,12H,2-3H2,1H3
InChIKeyQVMBZKWTGNRPAN-UHFFFAOYSA-N
MW264.16 g/mol
LogP3.46
Rot. Bonds3

About N-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]cyclopropanamine

N-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]cyclopropanamine (PubChem CID 169245653) has the molecular formula C9H11BrFNS and a molecular weight of 264.16 g/mol. Its IUPAC name is N-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]cyclopropanamine
PubChem CID169245653
Molecular FormulaC9H11BrFNS
Molecular Weight264.16 g/mol
Exact Mass262.98
IUPAC NameN-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]cyclopropanamine
SMILESCC(NC1CC1)c1scc(Br)c1F
InChIInChI=1S/C9H11BrFNS/c1-5(12-6-2-3-6)9-8(11)7(10)4-13-9/h4-6,12H,2-3H2,1H3
InChIKeyQVMBZKWTGNRPAN-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]-N'-cyclopropylethane-1,2-diamine
CID 169245522
N'-[1-(4-bromo-3-fluorothiophen-2-yl)-3,3,3-trifluoropropyl]-N'-cyclopropylethane-1,2-diamine
CID 169245623
N'-[1-(4-bromo-3-fluorothiophen-2-yl)-2,2-difluoropropyl]-N'-cyclopropylethane-1,2-diamine
CID 169245657
N-[1-(4-bromo-3-fluorothiophen-2-yl)-3,3,3-trifluoropropyl]cyclopropanamine
CID 172563115
1-(4-bromo-3-fluorothiophen-2-yl)-N-propylbut-3-en-1-amine
CID 172563139
N-[1-(3-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43755115
1-(4-bromothiophen-2-yl)-N-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60893092
N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 61000901
1-(5-bromothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine
CID 61104756
1-(4-bromothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 61603601
1-(4-bromothiophen-2-yl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 61606030
1-(4-bromothiophen-2-yl)-1-N-cyclopropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 61629905

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]cyclopropanamine (CID 169245653) is N-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]cyclopropanamine is CC(NC1CC1)c1scc(Br)c1F.
What is the InChIKey of N-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]cyclopropanamine?
The InChIKey is QVMBZKWTGNRPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNS/c1-5(12-6-2-3-6)9-8(11)7(10)4-13-9/h4-6,12H,2-3H2,1H3.
What are the key properties of N-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]cyclopropanamine?
N-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]cyclopropanamine has a molecular weight of 264.16 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 169245653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).