2-[2-(difluoromethoxy)cyclopentyl]-N-methylethanamine

C9H17F2NO — CID 84720015

IUPAC2-[2-(difluoromethoxy)cyclopentyl]-N-methylethanamine
SMILESCNCCC1CCCC1OC(F)F
InChIInChI=1S/C9H17F2NO/c1-12-6-5-7-3-2-4-8(7)13-9(10)11/h7-9,12H,2-6H2,1H3
InChIKeyGZWZWMIBJUBPTD-UHFFFAOYSA-N
MW193.24 g/mol
LogP2.00
Rot. Bonds5

About 2-[2-(difluoromethoxy)cyclopentyl]-N-methylethanamine

2-[2-(difluoromethoxy)cyclopentyl]-N-methylethanamine (PubChem CID 84720015) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)cyclopentyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)cyclopentyl]-N-methylethanamine
PubChem CID84720015
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name2-[2-(difluoromethoxy)cyclopentyl]-N-methylethanamine
SMILESCNCCC1CCCC1OC(F)F
InChIInChI=1S/C9H17F2NO/c1-12-6-5-7-3-2-4-8(7)13-9(10)11/h7-9,12H,2-6H2,1H3
InChIKeyGZWZWMIBJUBPTD-UHFFFAOYSA-N
XLogP2.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)cyclopentyl]-N-methylethanamine?
The IUPAC name of 2-[2-(difluoromethoxy)cyclopentyl]-N-methylethanamine (CID 84720015) is 2-[2-(difluoromethoxy)cyclopentyl]-N-methylethanamine.
What is the SMILES notation for 2-[2-(difluoromethoxy)cyclopentyl]-N-methylethanamine?
The canonical SMILES for 2-[2-(difluoromethoxy)cyclopentyl]-N-methylethanamine is CNCCC1CCCC1OC(F)F.
What is the InChIKey of 2-[2-(difluoromethoxy)cyclopentyl]-N-methylethanamine?
The InChIKey is GZWZWMIBJUBPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-12-6-5-7-3-2-4-8(7)13-9(10)11/h7-9,12H,2-6H2,1H3.
What are the key properties of 2-[2-(difluoromethoxy)cyclopentyl]-N-methylethanamine?
2-[2-(difluoromethoxy)cyclopentyl]-N-methylethanamine has a molecular weight of 193.24 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)cyclopentyl]-N-methylethanamine is sourced from PubChem (CID 84720015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).