N-[(4-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

C9H9BrF3NS — CID 106210635

IUPACN-[(4-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFC(F)(F)C1(NCc2cc(Br)cs2)CC1
InChIInChI=1S/C9H9BrF3NS/c10-6-3-7(15-5-6)4-14-8(1-2-8)9(11,12)13/h3,5,14H,1-2,4H2
InChIKeyLIANKKRSQNRGTG-UHFFFAOYSA-N
MW300.14 g/mol
LogP3.70
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

N-[(4-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106210635) has the molecular formula C9H9BrF3NS and a molecular weight of 300.14 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106210635
Molecular FormulaC9H9BrF3NS
Molecular Weight300.14 g/mol
Exact Mass298.96
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFC(F)(F)C1(NCc2cc(Br)cs2)CC1
InChIInChI=1S/C9H9BrF3NS/c10-6-3-7(15-5-6)4-14-8(1-2-8)9(11,12)13/h3,5,14H,1-2,4H2
InChIKeyLIANKKRSQNRGTG-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Bromothiophen-2-yl)-N-methylmethanamine
CID 42282034
2-(4-Bromothiophen-2-yl)pyrrolidine
CID 17389805
N-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]cyclopropanamine
CID 169245653
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-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 24702964
N-Cyclopropyl-2,2,2-trifluoro-1-(2-thienyl)ethanamine
CID 25146164
N-[(4-bromothiophen-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 28833527
2-(4-Bromothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
CID 43362661
N-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434416
N-[(4-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434504
N-[(4-bromothiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434632

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 106210635) is N-[(4-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is FC(F)(F)C1(NCc2cc(Br)cs2)CC1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is LIANKKRSQNRGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NS/c10-6-3-7(15-5-6)4-14-8(1-2-8)9(11,12)13/h3,5,14H,1-2,4H2.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[(4-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 300.14 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106210635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).