3-(2,4-difluorophenyl)-2-methylpyrrolidine

C11H13F2N — CID 62354967

IUPAC3-(2,4-difluorophenyl)-2-methylpyrrolidine
SMILESCC1NCCC1c1ccc(F)cc1F
InChIInChI=1S/C11H13F2N/c1-7-9(4-5-14-7)10-3-2-8(12)6-11(10)13/h2-3,6-7,9,14H,4-5H2,1H3
InChIKeyXPSHCQQAMUAPKA-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.43
Rot. Bonds1

About 3-(2,4-difluorophenyl)-2-methylpyrrolidine

3-(2,4-difluorophenyl)-2-methylpyrrolidine (PubChem CID 62354967) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-2-methylpyrrolidine
PubChem CID62354967
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name3-(2,4-difluorophenyl)-2-methylpyrrolidine
SMILESCC1NCCC1c1ccc(F)cc1F
InChIInChI=1S/C11H13F2N/c1-7-9(4-5-14-7)10-3-2-8(12)6-11(10)13/h2-3,6-7,9,14H,4-5H2,1H3
InChIKeyXPSHCQQAMUAPKA-UHFFFAOYSA-N
XLogP2.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-2-methylpyrrolidine?
The IUPAC name of 3-(2,4-difluorophenyl)-2-methylpyrrolidine (CID 62354967) is 3-(2,4-difluorophenyl)-2-methylpyrrolidine.
What is the SMILES notation for 3-(2,4-difluorophenyl)-2-methylpyrrolidine?
The canonical SMILES for 3-(2,4-difluorophenyl)-2-methylpyrrolidine is CC1NCCC1c1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)-2-methylpyrrolidine?
The InChIKey is XPSHCQQAMUAPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c1-7-9(4-5-14-7)10-3-2-8(12)6-11(10)13/h2-3,6-7,9,14H,4-5H2,1H3.
What are the key properties of 3-(2,4-difluorophenyl)-2-methylpyrrolidine?
3-(2,4-difluorophenyl)-2-methylpyrrolidine has a molecular weight of 197.23 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-2-methylpyrrolidine is sourced from PubChem (CID 62354967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).