2-[2-(difluoromethoxymethyl)cyclohexyl]-N-methylethanamine

C11H21F2NO — CID 84724797

IUPAC2-[2-(difluoromethoxymethyl)cyclohexyl]-N-methylethanamine
SMILESCNCCC1CCCCC1COC(F)F
InChIInChI=1S/C11H21F2NO/c1-14-7-6-9-4-2-3-5-10(9)8-15-11(12)13/h9-11,14H,2-8H2,1H3
InChIKeyKFHQIQDOIRIWII-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.64
Rot. Bonds6

About 2-[2-(difluoromethoxymethyl)cyclohexyl]-N-methylethanamine

2-[2-(difluoromethoxymethyl)cyclohexyl]-N-methylethanamine (PubChem CID 84724797) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 2-[2-(difluoromethoxymethyl)cyclohexyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(difluoromethoxymethyl)cyclohexyl]-N-methylethanamine
PubChem CID84724797
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name2-[2-(difluoromethoxymethyl)cyclohexyl]-N-methylethanamine
SMILESCNCCC1CCCCC1COC(F)F
InChIInChI=1S/C11H21F2NO/c1-14-7-6-9-4-2-3-5-10(9)8-15-11(12)13/h9-11,14H,2-8H2,1H3
InChIKeyKFHQIQDOIRIWII-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxymethyl)cyclohexyl]-N-methylethanamine?
The IUPAC name of 2-[2-(difluoromethoxymethyl)cyclohexyl]-N-methylethanamine (CID 84724797) is 2-[2-(difluoromethoxymethyl)cyclohexyl]-N-methylethanamine.
What is the SMILES notation for 2-[2-(difluoromethoxymethyl)cyclohexyl]-N-methylethanamine?
The canonical SMILES for 2-[2-(difluoromethoxymethyl)cyclohexyl]-N-methylethanamine is CNCCC1CCCCC1COC(F)F.
What is the InChIKey of 2-[2-(difluoromethoxymethyl)cyclohexyl]-N-methylethanamine?
The InChIKey is KFHQIQDOIRIWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-14-7-6-9-4-2-3-5-10(9)8-15-11(12)13/h9-11,14H,2-8H2,1H3.
What are the key properties of 2-[2-(difluoromethoxymethyl)cyclohexyl]-N-methylethanamine?
2-[2-(difluoromethoxymethyl)cyclohexyl]-N-methylethanamine has a molecular weight of 221.29 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxymethyl)cyclohexyl]-N-methylethanamine is sourced from PubChem (CID 84724797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).