1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

C15H27F4NO — CID 103475793

IUPAC1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCCNC(COCC(F)(F)C(F)F)C1CCC(C)C(C)C1
InChIInChI=1S/C15H27F4NO/c1-4-20-13(8-21-9-15(18,19)14(16)17)12-6-5-10(2)11(3)7-12/h10-14,20H,4-9H2,1-3H3
InChIKeySIAZBUVSRLXOER-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.95
Rot. Bonds8

About 1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 103475793) has the molecular formula C15H27F4NO and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID103475793
Molecular FormulaC15H27F4NO
Molecular Weight313.38 g/mol
Exact Mass313.20
IUPAC Name1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCCNC(COCC(F)(F)C(F)F)C1CCC(C)C(C)C1
InChIInChI=1S/C15H27F4NO/c1-4-20-13(8-21-9-15(18,19)14(16)17)12-6-5-10(2)11(3)7-12/h10-14,20H,4-9H2,1-3H3
InChIKeySIAZBUVSRLXOER-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 103475793) is 1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is CCNC(COCC(F)(F)C(F)F)C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is SIAZBUVSRLXOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F4NO/c1-4-20-13(8-21-9-15(18,19)14(16)17)12-6-5-10(2)11(3)7-12/h10-14,20H,4-9H2,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 313.38 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 103475793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).