1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine

C10H19F2NO — CID 162616070

IUPAC1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OCC1CCCN1CC(F)F
InChIInChI=1S/C10H19F2NO/c1-8(2)14-7-9-4-3-5-13(9)6-10(11)12/h8-10H,3-7H2,1-2H3
InChIKeyQCXWSXHKLMEVMR-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.14
Rot. Bonds5

About 1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine

1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine (PubChem CID 162616070) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine
PubChem CID162616070
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OCC1CCCN1CC(F)F
InChIInChI=1S/C10H19F2NO/c1-8(2)14-7-9-4-3-5-13(9)6-10(11)12/h8-10H,3-7H2,1-2H3
InChIKeyQCXWSXHKLMEVMR-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine?
The IUPAC name of 1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine (CID 162616070) is 1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for 1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine is CC(C)OCC1CCCN1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine?
The InChIKey is QCXWSXHKLMEVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-8(2)14-7-9-4-3-5-13(9)6-10(11)12/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine?
1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine has a molecular weight of 207.26 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 162616070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).