1-[1-(2,2-difluoroethoxy)cyclopentyl]-N-methylmethanamine

C9H17F2NO — CID 82006737

IUPAC1-[1-(2,2-difluoroethoxy)cyclopentyl]-N-methylmethanamine
SMILESCNCC1(OCC(F)F)CCCC1
InChIInChI=1S/C9H17F2NO/c1-12-7-9(4-2-3-5-9)13-6-8(10)11/h8,12H,2-7H2,1H3
InChIKeyJKWDWOOOWGDIQW-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.80
Rot. Bonds5

About 1-[1-(2,2-difluoroethoxy)cyclopentyl]-N-methylmethanamine

1-[1-(2,2-difluoroethoxy)cyclopentyl]-N-methylmethanamine (PubChem CID 82006737) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethoxy)cyclopentyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethoxy)cyclopentyl]-N-methylmethanamine
PubChem CID82006737
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name1-[1-(2,2-difluoroethoxy)cyclopentyl]-N-methylmethanamine
SMILESCNCC1(OCC(F)F)CCCC1
InChIInChI=1S/C9H17F2NO/c1-12-7-9(4-2-3-5-9)13-6-8(10)11/h8,12H,2-7H2,1H3
InChIKeyJKWDWOOOWGDIQW-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethoxy)cyclopentyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2,2-difluoroethoxy)cyclopentyl]-N-methylmethanamine (CID 82006737) is 1-[1-(2,2-difluoroethoxy)cyclopentyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2,2-difluoroethoxy)cyclopentyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2,2-difluoroethoxy)cyclopentyl]-N-methylmethanamine is CNCC1(OCC(F)F)CCCC1.
What is the InChIKey of 1-[1-(2,2-difluoroethoxy)cyclopentyl]-N-methylmethanamine?
The InChIKey is JKWDWOOOWGDIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-12-7-9(4-2-3-5-9)13-6-8(10)11/h8,12H,2-7H2,1H3.
What are the key properties of 1-[1-(2,2-difluoroethoxy)cyclopentyl]-N-methylmethanamine?
1-[1-(2,2-difluoroethoxy)cyclopentyl]-N-methylmethanamine has a molecular weight of 193.24 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoroethoxy)cyclopentyl]-N-methylmethanamine is sourced from PubChem (CID 82006737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).