1-[3-(difluoromethoxymethyl)cyclopentyl]-N-methylmethanamine

C9H17F2NO — CID 84720019

IUPAC1-[3-(difluoromethoxymethyl)cyclopentyl]-N-methylmethanamine
SMILESCNCC1CCC(COC(F)F)C1
InChIInChI=1S/C9H17F2NO/c1-12-5-7-2-3-8(4-7)6-13-9(10)11/h7-9,12H,2-6H2,1H3
InChIKeySKTLERQAWVWKCL-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.86
Rot. Bonds5

About 1-[3-(difluoromethoxymethyl)cyclopentyl]-N-methylmethanamine

1-[3-(difluoromethoxymethyl)cyclopentyl]-N-methylmethanamine (PubChem CID 84720019) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 1-[3-(difluoromethoxymethyl)cyclopentyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(difluoromethoxymethyl)cyclopentyl]-N-methylmethanamine
PubChem CID84720019
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name1-[3-(difluoromethoxymethyl)cyclopentyl]-N-methylmethanamine
SMILESCNCC1CCC(COC(F)F)C1
InChIInChI=1S/C9H17F2NO/c1-12-5-7-2-3-8(4-7)6-13-9(10)11/h7-9,12H,2-6H2,1H3
InChIKeySKTLERQAWVWKCL-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxymethyl)cyclopentyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(difluoromethoxymethyl)cyclopentyl]-N-methylmethanamine (CID 84720019) is 1-[3-(difluoromethoxymethyl)cyclopentyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(difluoromethoxymethyl)cyclopentyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(difluoromethoxymethyl)cyclopentyl]-N-methylmethanamine is CNCC1CCC(COC(F)F)C1.
What is the InChIKey of 1-[3-(difluoromethoxymethyl)cyclopentyl]-N-methylmethanamine?
The InChIKey is SKTLERQAWVWKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-12-5-7-2-3-8(4-7)6-13-9(10)11/h7-9,12H,2-6H2,1H3.
What are the key properties of 1-[3-(difluoromethoxymethyl)cyclopentyl]-N-methylmethanamine?
1-[3-(difluoromethoxymethyl)cyclopentyl]-N-methylmethanamine has a molecular weight of 193.24 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxymethyl)cyclopentyl]-N-methylmethanamine is sourced from PubChem (CID 84720019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).