N-[(4-chlorothiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

C12H15ClF3NS — CID 79419464

IUPACN-[(4-chlorothiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCc2cc(Cl)cs2)CC1
InChIInChI=1S/C12H15ClF3NS/c13-9-5-11(18-7-9)6-17-10-3-1-8(2-4-10)12(14,15)16/h5,7-8,10,17H,1-4,6H2
InChIKeyREBOESFEEMDRMP-UHFFFAOYSA-N
MW297.77 g/mol
LogP4.61
Rot. Bonds3

About N-[(4-chlorothiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

N-[(4-chlorothiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 79419464) has the molecular formula C12H15ClF3NS and a molecular weight of 297.77 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID79419464
Molecular FormulaC12H15ClF3NS
Molecular Weight297.77 g/mol
Exact Mass297.06
IUPAC NameN-[(4-chlorothiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCc2cc(Cl)cs2)CC1
InChIInChI=1S/C12H15ClF3NS/c13-9-5-11(18-7-9)6-17-10-3-1-8(2-4-10)12(14,15)16/h5,7-8,10,17H,1-4,6H2
InChIKeyREBOESFEEMDRMP-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 79419464) is N-[(4-chlorothiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCC(NCc2cc(Cl)cs2)CC1.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is REBOESFEEMDRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3NS/c13-9-5-11(18-7-9)6-17-10-3-1-8(2-4-10)12(14,15)16/h5,7-8,10,17H,1-4,6H2.
What are the key properties of N-[(4-chlorothiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[(4-chlorothiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 297.77 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 79419464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).