1-[2-(difluoromethoxymethyl)cyclohexyl]-N-methylmethanamine

C10H19F2NO — CID 84722406

IUPAC1-[2-(difluoromethoxymethyl)cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCCCC1COC(F)F
InChIInChI=1S/C10H19F2NO/c1-13-6-8-4-2-3-5-9(8)7-14-10(11)12/h8-10,13H,2-7H2,1H3
InChIKeyJVXANOKRGPSXTO-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.25
Rot. Bonds5

About 1-[2-(difluoromethoxymethyl)cyclohexyl]-N-methylmethanamine

1-[2-(difluoromethoxymethyl)cyclohexyl]-N-methylmethanamine (PubChem CID 84722406) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 1-[2-(difluoromethoxymethyl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxymethyl)cyclohexyl]-N-methylmethanamine
PubChem CID84722406
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name1-[2-(difluoromethoxymethyl)cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCCCC1COC(F)F
InChIInChI=1S/C10H19F2NO/c1-13-6-8-4-2-3-5-9(8)7-14-10(11)12/h8-10,13H,2-7H2,1H3
InChIKeyJVXANOKRGPSXTO-UHFFFAOYSA-N
XLogP2.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxymethyl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(difluoromethoxymethyl)cyclohexyl]-N-methylmethanamine (CID 84722406) is 1-[2-(difluoromethoxymethyl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(difluoromethoxymethyl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(difluoromethoxymethyl)cyclohexyl]-N-methylmethanamine is CNCC1CCCCC1COC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxymethyl)cyclohexyl]-N-methylmethanamine?
The InChIKey is JVXANOKRGPSXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-13-6-8-4-2-3-5-9(8)7-14-10(11)12/h8-10,13H,2-7H2,1H3.
What are the key properties of 1-[2-(difluoromethoxymethyl)cyclohexyl]-N-methylmethanamine?
1-[2-(difluoromethoxymethyl)cyclohexyl]-N-methylmethanamine has a molecular weight of 207.26 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxymethyl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 84722406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).