N-[(5-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C13H17ClF3NOS — CID 43435207

IUPACN-[(5-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESFC(F)(F)COC1CCCC(NCc2ccc(Cl)s2)C1
InChIInChI=1S/C13H17ClF3NOS/c14-12-5-4-11(20-12)7-18-9-2-1-3-10(6-9)19-8-13(15,16)17/h4-5,9-10,18H,1-3,6-8H2
InChIKeyHFTQMIIPCXLWBI-UHFFFAOYSA-N
MW327.80 g/mol
LogP4.38
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-[(5-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 43435207) has the molecular formula C13H17ClF3NOS and a molecular weight of 327.80 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID43435207
Molecular FormulaC13H17ClF3NOS
Molecular Weight327.80 g/mol
Exact Mass327.07
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESFC(F)(F)COC1CCCC(NCc2ccc(Cl)s2)C1
InChIInChI=1S/C13H17ClF3NOS/c14-12-5-4-11(20-12)7-18-9-2-1-3-10(6-9)19-8-13(15,16)17/h4-5,9-10,18H,1-3,6-8H2
InChIKeyHFTQMIIPCXLWBI-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.80
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 43435207) is N-[(5-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is FC(F)(F)COC1CCCC(NCc2ccc(Cl)s2)C1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is HFTQMIIPCXLWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3NOS/c14-12-5-4-11(20-12)7-18-9-2-1-3-10(6-9)19-8-13(15,16)17/h4-5,9-10,18H,1-3,6-8H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-[(5-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 327.80 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 43435207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).