2-(2,2-difluoroethoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine

C13H25F2NO — CID 82005153

IUPAC2-(2,2-difluoroethoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1OCC(F)F
InChIInChI=1S/C13H25F2NO/c1-4-16-11-6-5-10(9(2)3)7-12(11)17-8-13(14)15/h9-13,16H,4-8H2,1-3H3
InChIKeyYGPRNQDVZIWVSV-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.07
Rot. Bonds6

About 2-(2,2-difluoroethoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine

2-(2,2-difluoroethoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 82005153) has the molecular formula C13H25F2NO and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID82005153
Molecular FormulaC13H25F2NO
Molecular Weight249.34 g/mol
Exact Mass249.19
IUPAC Name2-(2,2-difluoroethoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1OCC(F)F
InChIInChI=1S/C13H25F2NO/c1-4-16-11-6-5-10(9(2)3)7-12(11)17-8-13(14)15/h9-13,16H,4-8H2,1-3H3
InChIKeyYGPRNQDVZIWVSV-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine (CID 82005153) is 2-(2,2-difluoroethoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine is CCNC1CCC(C(C)C)CC1OCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is YGPRNQDVZIWVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO/c1-4-16-11-6-5-10(9(2)3)7-12(11)17-8-13(14)15/h9-13,16H,4-8H2,1-3H3.
What are the key properties of 2-(2,2-difluoroethoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
2-(2,2-difluoroethoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 249.34 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 82005153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).