N-[(4-bromothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

C10H11BrF3NS — CID 55207734

IUPACN-[(4-bromothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESFC(F)(F)CN(Cc1cc(Br)cs1)C1CC1
InChIInChI=1S/C10H11BrF3NS/c11-7-3-9(16-5-7)4-15(8-1-2-8)6-10(12,13)14/h3,5,8H,1-2,4,6H2
InChIKeyFEDCUBWSHPGECK-UHFFFAOYSA-N
MW314.17 g/mol
LogP4.04
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-[(4-bromothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 55207734) has the molecular formula C10H11BrF3NS and a molecular weight of 314.17 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID55207734
Molecular FormulaC10H11BrF3NS
Molecular Weight314.17 g/mol
Exact Mass312.97
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESFC(F)(F)CN(Cc1cc(Br)cs1)C1CC1
InChIInChI=1S/C10H11BrF3NS/c11-7-3-9(16-5-7)4-15(8-1-2-8)6-10(12,13)14/h3,5,8H,1-2,4,6H2
InChIKeyFEDCUBWSHPGECK-UHFFFAOYSA-N
XLogP4.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 55207734) is N-[(4-bromothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is FC(F)(F)CN(Cc1cc(Br)cs1)C1CC1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is FEDCUBWSHPGECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NS/c11-7-3-9(16-5-7)4-15(8-1-2-8)6-10(12,13)14/h3,5,8H,1-2,4,6H2.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[(4-bromothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 314.17 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 55207734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).