4-(difluoromethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine

C10H19F2NO — CID 170097467

IUPAC4-(difluoromethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1CC(OC(F)F)CN1C
InChIInChI=1S/C10H19F2NO/c1-7(2)4-8-5-9(6-13(8)3)14-10(11)12/h7-10H,4-6H2,1-3H3
InChIKeyAMZLBOFAWCDHGF-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.34
Rot. Bonds4

About 4-(difluoromethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine

4-(difluoromethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine (PubChem CID 170097467) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 4-(difluoromethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name4-(difluoromethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine
PubChem CID170097467
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name4-(difluoromethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1CC(OC(F)F)CN1C
InChIInChI=1S/C10H19F2NO/c1-7(2)4-8-5-9(6-13(8)3)14-10(11)12/h7-10H,4-6H2,1-3H3
InChIKeyAMZLBOFAWCDHGF-UHFFFAOYSA-N
XLogP2.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of 4-(difluoromethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine (CID 170097467) is 4-(difluoromethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 4-(difluoromethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 4-(difluoromethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine is CC(C)CC1CC(OC(F)F)CN1C.
What is the InChIKey of 4-(difluoromethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine?
The InChIKey is AMZLBOFAWCDHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-7(2)4-8-5-9(6-13(8)3)14-10(11)12/h7-10H,4-6H2,1-3H3.
What are the key properties of 4-(difluoromethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine?
4-(difluoromethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine has a molecular weight of 207.26 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 170097467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).