2-[3-(difluoromethoxymethyl)cyclopentyl]ethanamine

C9H17F2NO — CID 84720018

IUPAC2-[3-(difluoromethoxymethyl)cyclopentyl]ethanamine
SMILESNCCC1CCC(COC(F)F)C1
InChIInChI=1S/C9H17F2NO/c10-9(11)13-6-8-2-1-7(5-8)3-4-12/h7-9H,1-6,12H2
InChIKeyDVOIWEBOGNABQT-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.99
Rot. Bonds5

About 2-[3-(difluoromethoxymethyl)cyclopentyl]ethanamine

2-[3-(difluoromethoxymethyl)cyclopentyl]ethanamine (PubChem CID 84720018) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 2-[3-(difluoromethoxymethyl)cyclopentyl]ethanamine.

Molecular Properties

Compound Name2-[3-(difluoromethoxymethyl)cyclopentyl]ethanamine
PubChem CID84720018
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name2-[3-(difluoromethoxymethyl)cyclopentyl]ethanamine
SMILESNCCC1CCC(COC(F)F)C1
InChIInChI=1S/C9H17F2NO/c10-9(11)13-6-8-2-1-7(5-8)3-4-12/h7-9H,1-6,12H2
InChIKeyDVOIWEBOGNABQT-UHFFFAOYSA-N
XLogP1.99
TPSA35.25 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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxymethyl)cyclopentyl]ethanamine?
The IUPAC name of 2-[3-(difluoromethoxymethyl)cyclopentyl]ethanamine (CID 84720018) is 2-[3-(difluoromethoxymethyl)cyclopentyl]ethanamine.
What is the SMILES notation for 2-[3-(difluoromethoxymethyl)cyclopentyl]ethanamine?
The canonical SMILES for 2-[3-(difluoromethoxymethyl)cyclopentyl]ethanamine is NCCC1CCC(COC(F)F)C1.
What is the InChIKey of 2-[3-(difluoromethoxymethyl)cyclopentyl]ethanamine?
The InChIKey is DVOIWEBOGNABQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c10-9(11)13-6-8-2-1-7(5-8)3-4-12/h7-9H,1-6,12H2.
What are the key properties of 2-[3-(difluoromethoxymethyl)cyclopentyl]ethanamine?
2-[3-(difluoromethoxymethyl)cyclopentyl]ethanamine has a molecular weight of 193.24 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxymethyl)cyclopentyl]ethanamine is sourced from PubChem (CID 84720018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).