N-[(5-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

C12H15BrF3NS — CID 43434414

IUPACN-[(5-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NCc2ccc(Br)s2)C1
InChIInChI=1S/C12H15BrF3NS/c13-11-5-4-10(18-11)7-17-9-3-1-2-8(6-9)12(14,15)16/h4-5,8-9,17H,1-3,6-7H2
InChIKeyVJDKBGCRXBFGRX-UHFFFAOYSA-N
MW342.22 g/mol
LogP4.72
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

N-[(5-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43434414) has the molecular formula C12H15BrF3NS and a molecular weight of 342.22 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43434414
Molecular FormulaC12H15BrF3NS
Molecular Weight342.22 g/mol
Exact Mass341.01
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NCc2ccc(Br)s2)C1
InChIInChI=1S/C12H15BrF3NS/c13-11-5-4-10(18-11)7-17-9-3-1-2-8(6-9)12(14,15)16/h4-5,8-9,17H,1-3,6-7H2
InChIKeyVJDKBGCRXBFGRX-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 43434414) is N-[(5-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCCC(NCc2ccc(Br)s2)C1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is VJDKBGCRXBFGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF3NS/c13-11-5-4-10(18-11)7-17-9-3-1-2-8(6-9)12(14,15)16/h4-5,8-9,17H,1-3,6-7H2.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
N-[(5-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 342.22 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43434414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).