2-(4-tert-butyl-3,5-difluorophenyl)pyrrolidine

C14H19F2N — CID 170256865

IUPAC2-(4-tert-butyl-3,5-difluorophenyl)pyrrolidine
SMILESCC(C)(C)c1c(F)cc(C2CCCN2)cc1F
InChIInChI=1S/C14H19F2N/c1-14(2,3)13-10(15)7-9(8-11(13)16)12-5-4-6-17-12/h7-8,12,17H,4-6H2,1-3H3
InChIKeyZLSQSRVIOJJEPQ-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.69
Rot. Bonds1

About 2-(4-tert-butyl-3,5-difluorophenyl)pyrrolidine

2-(4-tert-butyl-3,5-difluorophenyl)pyrrolidine (PubChem CID 170256865) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-(4-tert-butyl-3,5-difluorophenyl)pyrrolidine.

Molecular Properties

Compound Name2-(4-tert-butyl-3,5-difluorophenyl)pyrrolidine
PubChem CID170256865
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-(4-tert-butyl-3,5-difluorophenyl)pyrrolidine
SMILESCC(C)(C)c1c(F)cc(C2CCCN2)cc1F
InChIInChI=1S/C14H19F2N/c1-14(2,3)13-10(15)7-9(8-11(13)16)12-5-4-6-17-12/h7-8,12,17H,4-6H2,1-3H3
InChIKeyZLSQSRVIOJJEPQ-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine
CID 77131566
2-(3-bromo-4,5-difluorophenyl)pyrrolidine
CID 117409353
2-(3,4-difluoro-5-methoxyphenyl)pyrrolidine;hydrochloride
CID 146049321
2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]pyrrolidine
CID 84678483
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
CID 117319502
2-fluoro-6-methoxy-4-pyrrolidin-2-ylphenol
CID 77131485
(2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine
CID 66519309
2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)pyrrolidine
CID 117445175
3-fluoro-5-[(2R)-pyrrolidin-2-yl]aniline
CID 130614762
2,3-difluoro-N,N-dimethyl-5-piperidin-2-ylaniline
CID 117116358
(2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)pyrrolidine
CID 131358748
3-fluoro-2-hydroxy-5-pyrrolidin-2-ylbenzoic acid
CID 117322920

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-3,5-difluorophenyl)pyrrolidine?
The IUPAC name of 2-(4-tert-butyl-3,5-difluorophenyl)pyrrolidine (CID 170256865) is 2-(4-tert-butyl-3,5-difluorophenyl)pyrrolidine.
What is the SMILES notation for 2-(4-tert-butyl-3,5-difluorophenyl)pyrrolidine?
The canonical SMILES for 2-(4-tert-butyl-3,5-difluorophenyl)pyrrolidine is CC(C)(C)c1c(F)cc(C2CCCN2)cc1F.
What is the InChIKey of 2-(4-tert-butyl-3,5-difluorophenyl)pyrrolidine?
The InChIKey is ZLSQSRVIOJJEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-14(2,3)13-10(15)7-9(8-11(13)16)12-5-4-6-17-12/h7-8,12,17H,4-6H2,1-3H3.
What are the key properties of 2-(4-tert-butyl-3,5-difluorophenyl)pyrrolidine?
2-(4-tert-butyl-3,5-difluorophenyl)pyrrolidine has a molecular weight of 239.31 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-3,5-difluorophenyl)pyrrolidine is sourced from PubChem (CID 170256865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).