N-[1-(3-bromothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine

C10H11BrF3NS — CID 106209903

IUPACN-[1-(3-bromothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCC(NC1(C(F)(F)F)CC1)c1sccc1Br
InChIInChI=1S/C10H11BrF3NS/c1-6(8-7(11)2-5-16-8)15-9(3-4-9)10(12,13)14/h2,5-6,15H,3-4H2,1H3
InChIKeyDMQISFJDFRTLLI-UHFFFAOYSA-N
MW314.17 g/mol
LogP4.26
Rot. Bonds3

About N-[1-(3-bromothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine

N-[1-(3-bromothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106209903) has the molecular formula C10H11BrF3NS and a molecular weight of 314.17 g/mol. Its IUPAC name is N-[1-(3-bromothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106209903
Molecular FormulaC10H11BrF3NS
Molecular Weight314.17 g/mol
Exact Mass312.97
IUPAC NameN-[1-(3-bromothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCC(NC1(C(F)(F)F)CC1)c1sccc1Br
InChIInChI=1S/C10H11BrF3NS/c1-6(8-7(11)2-5-16-8)15-9(3-4-9)10(12,13)14/h2,5-6,15H,3-4H2,1H3
InChIKeyDMQISFJDFRTLLI-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 106209903) is N-[1-(3-bromothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[1-(3-bromothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[1-(3-bromothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine is CC(NC1(C(F)(F)F)CC1)c1sccc1Br.
What is the InChIKey of N-[1-(3-bromothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is DMQISFJDFRTLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NS/c1-6(8-7(11)2-5-16-8)15-9(3-4-9)10(12,13)14/h2,5-6,15H,3-4H2,1H3.
What are the key properties of N-[1-(3-bromothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[1-(3-bromothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 314.17 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106209903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).