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

C14H19ClF3NOS — CID 43748972

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC(NC1CCCC(OCC(F)(F)F)C1)c1ccc(Cl)s1
InChIInChI=1S/C14H19ClF3NOS/c1-9(12-5-6-13(15)21-12)19-10-3-2-4-11(7-10)20-8-14(16,17)18/h5-6,9-11,19H,2-4,7-8H2,1H3
InChIKeyYJMFQLLKURCCFL-UHFFFAOYSA-N
MW341.83 g/mol
LogP4.94
Rot. Bonds5

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

N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 43748972) has the molecular formula C14H19ClF3NOS and a molecular weight of 341.83 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID43748972
Molecular FormulaC14H19ClF3NOS
Molecular Weight341.83 g/mol
Exact Mass341.08
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC(NC1CCCC(OCC(F)(F)F)C1)c1ccc(Cl)s1
InChIInChI=1S/C14H19ClF3NOS/c1-9(12-5-6-13(15)21-12)19-10-3-2-4-11(7-10)20-8-14(16,17)18/h5-6,9-11,19H,2-4,7-8H2,1H3
InChIKeyYJMFQLLKURCCFL-UHFFFAOYSA-N
XLogP4.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.83
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 43748972) is N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CC(NC1CCCC(OCC(F)(F)F)C1)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is YJMFQLLKURCCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3NOS/c1-9(12-5-6-13(15)21-12)19-10-3-2-4-11(7-10)20-8-14(16,17)18/h5-6,9-11,19H,2-4,7-8H2,1H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 341.83 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 43748972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).