1-(2,3-difluoro-4-methylphenyl)pyrrolidine

C11H13F2N — CID 168515209

IUPAC1-(2,3-difluoro-4-methylphenyl)pyrrolidine
SMILESCc1ccc(N2CCCC2)c(F)c1F
InChIInChI=1S/C11H13F2N/c1-8-4-5-9(11(13)10(8)12)14-6-2-3-7-14/h4-5H,2-3,6-7H2,1H3
InChIKeyXDIRVNGIHQMGMJ-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.87
Rot. Bonds1

About 1-(2,3-difluoro-4-methylphenyl)pyrrolidine

1-(2,3-difluoro-4-methylphenyl)pyrrolidine (PubChem CID 168515209) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)pyrrolidine
PubChem CID168515209
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name1-(2,3-difluoro-4-methylphenyl)pyrrolidine
SMILESCc1ccc(N2CCCC2)c(F)c1F
InChIInChI=1S/C11H13F2N/c1-8-4-5-9(11(13)10(8)12)14-6-2-3-7-14/h4-5H,2-3,6-7H2,1H3
InChIKeyXDIRVNGIHQMGMJ-UHFFFAOYSA-N
XLogP2.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-difluoro-4-methylphenyl)piperidin-4-amine
CID 107514198
3-fluoro-2-methyl-4-pyrrolidin-1-ylpyridine
CID 141285362
40,41-dimethyl-1,20-diazatricyclo[18.18.4.239,42]tetratetraconta-39,41,43-triene
CID 177473830
1-(4-fluoro-2-methylphenyl)piperidine;methanol
CID 159526986
1,4-dimethyl-5,8-dipyrrolidin-1-ylanthracene-9,10-dione
CID 11760543
5-methyl-8-piperidin-1-ylquinoxaline
CID 129257471
1-[4-(chloromethyl)-2-methylphenyl]azocane
CID 63539921
1-[5-(chloromethyl)-2-methylphenyl]piperidine
CID 118084107
1-(4-bromo-2-methylphenyl)piperidine
CID 66800775
2-fluoro-3-iodo-6-pyrrolidin-1-ylphenol
CID 168515473
2-(azepan-1-yl)-5-fluoro-4-methylaniline
CID 103589726
2-fluoro-3-methyl-4-pyrrolidin-1-ylpyridine
CID 66850226

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)pyrrolidine?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)pyrrolidine (CID 168515209) is 1-(2,3-difluoro-4-methylphenyl)pyrrolidine.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)pyrrolidine?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)pyrrolidine is Cc1ccc(N2CCCC2)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)pyrrolidine?
The InChIKey is XDIRVNGIHQMGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c1-8-4-5-9(11(13)10(8)12)14-6-2-3-7-14/h4-5H,2-3,6-7H2,1H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)pyrrolidine?
1-(2,3-difluoro-4-methylphenyl)pyrrolidine has a molecular weight of 197.23 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)pyrrolidine is sourced from PubChem (CID 168515209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).