N-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C16H28F3NO — CID 43435247

IUPACN-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCCC1CCC(NC2CCCC(OCC(F)(F)F)C2)CC1
InChIInChI=1S/C16H28F3NO/c1-2-12-6-8-13(9-7-12)20-14-4-3-5-15(10-14)21-11-16(17,18)19/h12-15,20H,2-11H2,1H3
InChIKeyZBRKJXNJCQHSQX-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.43
Rot. Bonds5

About N-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 43435247) has the molecular formula C16H28F3NO and a molecular weight of 307.40 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID43435247
Molecular FormulaC16H28F3NO
Molecular Weight307.40 g/mol
Exact Mass307.21
IUPAC NameN-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCCC1CCC(NC2CCCC(OCC(F)(F)F)C2)CC1
InChIInChI=1S/C16H28F3NO/c1-2-12-6-8-13(9-7-12)20-14-4-3-5-15(10-14)21-11-16(17,18)19/h12-15,20H,2-11H2,1H3
InChIKeyZBRKJXNJCQHSQX-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 43435247) is N-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CCC1CCC(NC2CCCC(OCC(F)(F)F)C2)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is ZBRKJXNJCQHSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3NO/c1-2-12-6-8-13(9-7-12)20-14-4-3-5-15(10-14)21-11-16(17,18)19/h12-15,20H,2-11H2,1H3.
What are the key properties of N-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 307.40 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 43435247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).