1-(4,5-difluoro-2-pyrrolidin-2-ylphenyl)pyrrolidine

C14H18F2N2 — CID 117116805

IUPAC1-(4,5-difluoro-2-pyrrolidin-2-ylphenyl)pyrrolidine
SMILESFc1cc(C2CCCN2)c(N2CCCC2)cc1F
InChIInChI=1S/C14H18F2N2/c15-11-8-10(13-4-3-5-17-13)14(9-12(11)16)18-6-1-2-7-18/h8-9,13,17H,1-7H2
InChIKeyZTJJICKQUUOORW-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.99
Rot. Bonds2

About 1-(4,5-difluoro-2-pyrrolidin-2-ylphenyl)pyrrolidine

1-(4,5-difluoro-2-pyrrolidin-2-ylphenyl)pyrrolidine (PubChem CID 117116805) has the molecular formula C14H18F2N2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(4,5-difluoro-2-pyrrolidin-2-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(4,5-difluoro-2-pyrrolidin-2-ylphenyl)pyrrolidine
PubChem CID117116805
Molecular FormulaC14H18F2N2
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name1-(4,5-difluoro-2-pyrrolidin-2-ylphenyl)pyrrolidine
SMILESFc1cc(C2CCCN2)c(N2CCCC2)cc1F
InChIInChI=1S/C14H18F2N2/c15-11-8-10(13-4-3-5-17-13)14(9-12(11)16)18-6-1-2-7-18/h8-9,13,17H,1-7H2
InChIKeyZTJJICKQUUOORW-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-2-pyrrolidin-2-ylphenyl)piperidine
CID 117374397
1-(4-methyl-2-pyrrolidin-2-ylphenyl)piperidine
CID 117363390
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288
2-(3-bromo-2,4,5-trifluorophenyl)pyrrolidine
CID 117116819
2-(2,3,5-trifluorophenyl)pyrrolidine
CID 77131470
CID 174947937
CID 174947937
(2S)-2-(2,3,5-trifluorophenyl)pyrrolidine;hydrochloride
CID 171196335
5-chloro-4-fluoro-2-[(2R)-pyrrolidin-2-yl]phenol
CID 66518714
(2R)-2-(2-fluorophenyl)pyrrolidine;methane
CID 161076171
(2S)-2-(2-fluorophenyl)pyrrolidine;hydrochloride
CID 66518510
2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 170920629
(2R)-2-(2-fluoro-5-methylphenyl)pyrrolidine;hydrochloride
CID 66518747

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-difluoro-2-pyrrolidin-2-ylphenyl)pyrrolidine?
The IUPAC name of 1-(4,5-difluoro-2-pyrrolidin-2-ylphenyl)pyrrolidine (CID 117116805) is 1-(4,5-difluoro-2-pyrrolidin-2-ylphenyl)pyrrolidine.
What is the SMILES notation for 1-(4,5-difluoro-2-pyrrolidin-2-ylphenyl)pyrrolidine?
The canonical SMILES for 1-(4,5-difluoro-2-pyrrolidin-2-ylphenyl)pyrrolidine is Fc1cc(C2CCCN2)c(N2CCCC2)cc1F.
What is the InChIKey of 1-(4,5-difluoro-2-pyrrolidin-2-ylphenyl)pyrrolidine?
The InChIKey is ZTJJICKQUUOORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2/c15-11-8-10(13-4-3-5-17-13)14(9-12(11)16)18-6-1-2-7-18/h8-9,13,17H,1-7H2.
What are the key properties of 1-(4,5-difluoro-2-pyrrolidin-2-ylphenyl)pyrrolidine?
1-(4,5-difluoro-2-pyrrolidin-2-ylphenyl)pyrrolidine has a molecular weight of 252.31 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-difluoro-2-pyrrolidin-2-ylphenyl)pyrrolidine is sourced from PubChem (CID 117116805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).