2-cyclohexyl-2-(difluoromethoxy)-N-methylethanamine

C10H19F2NO — CID 84722393

IUPAC2-cyclohexyl-2-(difluoromethoxy)-N-methylethanamine
SMILESCNCC(OC(F)F)C1CCCCC1
InChIInChI=1S/C10H19F2NO/c1-13-7-9(14-10(11)12)8-5-3-2-4-6-8/h8-10,13H,2-7H2,1H3
InChIKeyDBESAABFTLGHNG-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.39
Rot. Bonds5

About 2-cyclohexyl-2-(difluoromethoxy)-N-methylethanamine

2-cyclohexyl-2-(difluoromethoxy)-N-methylethanamine (PubChem CID 84722393) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-cyclohexyl-2-(difluoromethoxy)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclohexyl-2-(difluoromethoxy)-N-methylethanamine
PubChem CID84722393
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name2-cyclohexyl-2-(difluoromethoxy)-N-methylethanamine
SMILESCNCC(OC(F)F)C1CCCCC1
InChIInChI=1S/C10H19F2NO/c1-13-7-9(14-10(11)12)8-5-3-2-4-6-8/h8-10,13H,2-7H2,1H3
InChIKeyDBESAABFTLGHNG-UHFFFAOYSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(difluoromethoxy)-N-methylethanamine?
The IUPAC name of 2-cyclohexyl-2-(difluoromethoxy)-N-methylethanamine (CID 84722393) is 2-cyclohexyl-2-(difluoromethoxy)-N-methylethanamine.
What is the SMILES notation for 2-cyclohexyl-2-(difluoromethoxy)-N-methylethanamine?
The canonical SMILES for 2-cyclohexyl-2-(difluoromethoxy)-N-methylethanamine is CNCC(OC(F)F)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(difluoromethoxy)-N-methylethanamine?
The InChIKey is DBESAABFTLGHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-13-7-9(14-10(11)12)8-5-3-2-4-6-8/h8-10,13H,2-7H2,1H3.
What are the key properties of 2-cyclohexyl-2-(difluoromethoxy)-N-methylethanamine?
2-cyclohexyl-2-(difluoromethoxy)-N-methylethanamine has a molecular weight of 207.26 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(difluoromethoxy)-N-methylethanamine is sourced from PubChem (CID 84722393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).