3-(difluoromethoxymethyl)-1-methylpyrrolidin-3-amine

C7H14F2N2O — CID 84718345

IUPAC3-(difluoromethoxymethyl)-1-methylpyrrolidin-3-amine
SMILESCN1CCC(N)(COC(F)F)C1
InChIInChI=1S/C7H14F2N2O/c1-11-3-2-7(10,4-11)5-12-6(8)9/h6H,2-5,10H2,1H3
InChIKeyKHKAAXWDWIOTSK-UHFFFAOYSA-N
MW180.20 g/mol
LogP0.26
Rot. Bonds3

About 3-(difluoromethoxymethyl)-1-methylpyrrolidin-3-amine

3-(difluoromethoxymethyl)-1-methylpyrrolidin-3-amine (PubChem CID 84718345) has the molecular formula C7H14F2N2O and a molecular weight of 180.20 g/mol. Its IUPAC name is 3-(difluoromethoxymethyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-(difluoromethoxymethyl)-1-methylpyrrolidin-3-amine
PubChem CID84718345
Molecular FormulaC7H14F2N2O
Molecular Weight180.20 g/mol
Exact Mass180.11
IUPAC Name3-(difluoromethoxymethyl)-1-methylpyrrolidin-3-amine
SMILESCN1CCC(N)(COC(F)F)C1
InChIInChI=1S/C7H14F2N2O/c1-11-3-2-7(10,4-11)5-12-6(8)9/h6H,2-5,10H2,1H3
InChIKeyKHKAAXWDWIOTSK-UHFFFAOYSA-N
XLogP0.26
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxymethyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of 3-(difluoromethoxymethyl)-1-methylpyrrolidin-3-amine (CID 84718345) is 3-(difluoromethoxymethyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for 3-(difluoromethoxymethyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for 3-(difluoromethoxymethyl)-1-methylpyrrolidin-3-amine is CN1CCC(N)(COC(F)F)C1.
What is the InChIKey of 3-(difluoromethoxymethyl)-1-methylpyrrolidin-3-amine?
The InChIKey is KHKAAXWDWIOTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O/c1-11-3-2-7(10,4-11)5-12-6(8)9/h6H,2-5,10H2,1H3.
What are the key properties of 3-(difluoromethoxymethyl)-1-methylpyrrolidin-3-amine?
3-(difluoromethoxymethyl)-1-methylpyrrolidin-3-amine has a molecular weight of 180.20 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxymethyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 84718345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).