3,3-difluoro-4-methyl-4-phenylpyrrolidine

C11H13F2N — CID 115020965

IUPAC3,3-difluoro-4-methyl-4-phenylpyrrolidine
SMILESCC1(c2ccccc2)CNCC1(F)F
InChIInChI=1S/C11H13F2N/c1-10(7-14-8-11(10,12)13)9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3
InChIKeyILFIEZIKTMCMTN-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.18
Rot. Bonds1

About 3,3-difluoro-4-methyl-4-phenylpyrrolidine

3,3-difluoro-4-methyl-4-phenylpyrrolidine (PubChem CID 115020965) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 3,3-difluoro-4-methyl-4-phenylpyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-4-methyl-4-phenylpyrrolidine
PubChem CID115020965
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name3,3-difluoro-4-methyl-4-phenylpyrrolidine
SMILESCC1(c2ccccc2)CNCC1(F)F
InChIInChI=1S/C11H13F2N/c1-10(7-14-8-11(10,12)13)9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3
InChIKeyILFIEZIKTMCMTN-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-methyl-4-phenylpyrrolidine?
The IUPAC name of 3,3-difluoro-4-methyl-4-phenylpyrrolidine (CID 115020965) is 3,3-difluoro-4-methyl-4-phenylpyrrolidine.
What is the SMILES notation for 3,3-difluoro-4-methyl-4-phenylpyrrolidine?
The canonical SMILES for 3,3-difluoro-4-methyl-4-phenylpyrrolidine is CC1(c2ccccc2)CNCC1(F)F.
What is the InChIKey of 3,3-difluoro-4-methyl-4-phenylpyrrolidine?
The InChIKey is ILFIEZIKTMCMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c1-10(7-14-8-11(10,12)13)9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3.
What are the key properties of 3,3-difluoro-4-methyl-4-phenylpyrrolidine?
3,3-difluoro-4-methyl-4-phenylpyrrolidine has a molecular weight of 197.23 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-methyl-4-phenylpyrrolidine is sourced from PubChem (CID 115020965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).