2-[4-(2,2-difluoroethyl)phenyl]-2-methylpyrrolidine

C13H17F2N — CID 117323688

IUPAC2-[4-(2,2-difluoroethyl)phenyl]-2-methylpyrrolidine
SMILESCC1(c2ccc(CC(F)F)cc2)CCCN1
InChIInChI=1S/C13H17F2N/c1-13(7-2-8-16-13)11-5-3-10(4-6-11)9-12(14)15/h3-6,12,16H,2,7-9H2,1H3
InChIKeyJHANUSUCSCMQOY-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.09
Rot. Bonds3

About 2-[4-(2,2-difluoroethyl)phenyl]-2-methylpyrrolidine

2-[4-(2,2-difluoroethyl)phenyl]-2-methylpyrrolidine (PubChem CID 117323688) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 2-[4-(2,2-difluoroethyl)phenyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name2-[4-(2,2-difluoroethyl)phenyl]-2-methylpyrrolidine
PubChem CID117323688
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name2-[4-(2,2-difluoroethyl)phenyl]-2-methylpyrrolidine
SMILESCC1(c2ccc(CC(F)F)cc2)CCCN1
InChIInChI=1S/C13H17F2N/c1-13(7-2-8-16-13)11-5-3-10(4-6-11)9-12(14)15/h3-6,12,16H,2,7-9H2,1H3
InChIKeyJHANUSUCSCMQOY-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine
CID 117351181
2-[4-(difluoromethylsulfanyl)phenyl]-2-methylpyrrolidine
CID 117360520
4-(2-methylpyrrolidin-2-yl)phenol
CID 82599572
2-[3-(2-fluoropropyl)phenyl]-2-methylpyrrolidine
CID 117316899
2-(4-ethoxyphenyl)-2-methylpyrrolidine
CID 66467822
2-methyl-2-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine
CID 117335142
2-[3-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine
CID 117351180
4-(2-methylazepan-2-yl)phenol
CID 115059442
2-methyl-2-phenylpiperidine;hydrochloride
CID 115027708
2-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine
CID 117335007
2-methyl-2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrrolidine
CID 117408371
2-(4-cyclopentyloxyphenyl)-2-methylpyrrolidine
CID 117366157

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoroethyl)phenyl]-2-methylpyrrolidine?
The IUPAC name of 2-[4-(2,2-difluoroethyl)phenyl]-2-methylpyrrolidine (CID 117323688) is 2-[4-(2,2-difluoroethyl)phenyl]-2-methylpyrrolidine.
What is the SMILES notation for 2-[4-(2,2-difluoroethyl)phenyl]-2-methylpyrrolidine?
The canonical SMILES for 2-[4-(2,2-difluoroethyl)phenyl]-2-methylpyrrolidine is CC1(c2ccc(CC(F)F)cc2)CCCN1.
What is the InChIKey of 2-[4-(2,2-difluoroethyl)phenyl]-2-methylpyrrolidine?
The InChIKey is JHANUSUCSCMQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-13(7-2-8-16-13)11-5-3-10(4-6-11)9-12(14)15/h3-6,12,16H,2,7-9H2,1H3.
What are the key properties of 2-[4-(2,2-difluoroethyl)phenyl]-2-methylpyrrolidine?
2-[4-(2,2-difluoroethyl)phenyl]-2-methylpyrrolidine has a molecular weight of 225.28 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluoroethyl)phenyl]-2-methylpyrrolidine is sourced from PubChem (CID 117323688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).