1-cycloheptyl-2-(difluoromethoxy)-N-methylethanamine

C11H21F2NO — CID 84724795

IUPAC1-cycloheptyl-2-(difluoromethoxy)-N-methylethanamine
SMILESCNC(COC(F)F)C1CCCCCC1
InChIInChI=1S/C11H21F2NO/c1-14-10(8-15-11(12)13)9-6-4-2-3-5-7-9/h9-11,14H,2-8H2,1H3
InChIKeyQDOQNXANDDJWFQ-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.78
Rot. Bonds5

About 1-cycloheptyl-2-(difluoromethoxy)-N-methylethanamine

1-cycloheptyl-2-(difluoromethoxy)-N-methylethanamine (PubChem CID 84724795) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 1-cycloheptyl-2-(difluoromethoxy)-N-methylethanamine.

Molecular Properties

Compound Name1-cycloheptyl-2-(difluoromethoxy)-N-methylethanamine
PubChem CID84724795
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name1-cycloheptyl-2-(difluoromethoxy)-N-methylethanamine
SMILESCNC(COC(F)F)C1CCCCCC1
InChIInChI=1S/C11H21F2NO/c1-14-10(8-15-11(12)13)9-6-4-2-3-5-7-9/h9-11,14H,2-8H2,1H3
InChIKeyQDOQNXANDDJWFQ-UHFFFAOYSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-(difluoromethoxy)-N-methylethanamine?
The IUPAC name of 1-cycloheptyl-2-(difluoromethoxy)-N-methylethanamine (CID 84724795) is 1-cycloheptyl-2-(difluoromethoxy)-N-methylethanamine.
What is the SMILES notation for 1-cycloheptyl-2-(difluoromethoxy)-N-methylethanamine?
The canonical SMILES for 1-cycloheptyl-2-(difluoromethoxy)-N-methylethanamine is CNC(COC(F)F)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-(difluoromethoxy)-N-methylethanamine?
The InChIKey is QDOQNXANDDJWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-14-10(8-15-11(12)13)9-6-4-2-3-5-7-9/h9-11,14H,2-8H2,1H3.
What are the key properties of 1-cycloheptyl-2-(difluoromethoxy)-N-methylethanamine?
1-cycloheptyl-2-(difluoromethoxy)-N-methylethanamine has a molecular weight of 221.29 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-(difluoromethoxy)-N-methylethanamine is sourced from PubChem (CID 84724795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).