3-tert-butyl-1-(3-tert-butyl-5-fluorophenyl)pyrrolidine

C18H28FN — CID 170651647

IUPAC3-tert-butyl-1-(3-tert-butyl-5-fluorophenyl)pyrrolidine
SMILESCC(C)(C)c1cc(F)cc(N2CCC(C(C)(C)C)C2)c1
InChIInChI=1S/C18H28FN/c1-17(2,3)13-7-8-20(12-13)16-10-14(18(4,5)6)9-15(19)11-16/h9-11,13H,7-8,12H2,1-6H3
InChIKeyNHMFKGSQZLXYHY-UHFFFAOYSA-N
MW277.43 g/mol
LogP5.00
Rot. Bonds1

About 3-tert-butyl-1-(3-tert-butyl-5-fluorophenyl)pyrrolidine

3-tert-butyl-1-(3-tert-butyl-5-fluorophenyl)pyrrolidine (PubChem CID 170651647) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is 3-tert-butyl-1-(3-tert-butyl-5-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name3-tert-butyl-1-(3-tert-butyl-5-fluorophenyl)pyrrolidine
PubChem CID170651647
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC Name3-tert-butyl-1-(3-tert-butyl-5-fluorophenyl)pyrrolidine
SMILESCC(C)(C)c1cc(F)cc(N2CCC(C(C)(C)C)C2)c1
InChIInChI=1S/C18H28FN/c1-17(2,3)13-7-8-20(12-13)16-10-14(18(4,5)6)9-15(19)11-16/h9-11,13H,7-8,12H2,1-6H3
InChIKeyNHMFKGSQZLXYHY-UHFFFAOYSA-N
XLogP5.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 67022301
N-[3-[(3R)-3-tert-butylpiperidin-1-yl]-5-(trifluoromethyl)phenyl]-1-(3,5-difluorophenyl)-1,2,4-triazol-3-amine
CID 159838506
1-[3-fluoro-5-(4-methylpiperidin-1-yl)phenyl]ethenol
CID 143171275
5-bromo-2-(3-tert-butylpyrrolidin-1-yl)-3-fluoropyridine
CID 104925342
4-(3-tert-butylpyrrolidin-1-yl)-6-chloro-5-fluorobenzene-1,3-diamine
CID 103553442
1-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperidin-4-ol
CID 59774721
5-bromo-4-(3-tert-butylpyrrolidin-1-yl)-2-methylaniline
CID 114048327
4-(3-tert-butylpyrrolidin-1-yl)-2,3-difluorobenzenecarbothioamide
CID 107935234
4-tert-butyl-1-phenylpiperidine
CID 612454
3-fluoro-5-(4-pyrrolidin-1-ylpiperidin-1-yl)benzoic acid
CID 58305424
4-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]aniline
CID 129320764
3-fluoro-5-(4-methylpiperidin-1-yl)aniline
CID 60874969

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(3-tert-butyl-5-fluorophenyl)pyrrolidine?
The IUPAC name of 3-tert-butyl-1-(3-tert-butyl-5-fluorophenyl)pyrrolidine (CID 170651647) is 3-tert-butyl-1-(3-tert-butyl-5-fluorophenyl)pyrrolidine.
What is the SMILES notation for 3-tert-butyl-1-(3-tert-butyl-5-fluorophenyl)pyrrolidine?
The canonical SMILES for 3-tert-butyl-1-(3-tert-butyl-5-fluorophenyl)pyrrolidine is CC(C)(C)c1cc(F)cc(N2CCC(C(C)(C)C)C2)c1.
What is the InChIKey of 3-tert-butyl-1-(3-tert-butyl-5-fluorophenyl)pyrrolidine?
The InChIKey is NHMFKGSQZLXYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-17(2,3)13-7-8-20(12-13)16-10-14(18(4,5)6)9-15(19)11-16/h9-11,13H,7-8,12H2,1-6H3.
What are the key properties of 3-tert-butyl-1-(3-tert-butyl-5-fluorophenyl)pyrrolidine?
3-tert-butyl-1-(3-tert-butyl-5-fluorophenyl)pyrrolidine has a molecular weight of 277.43 g/mol, XLogP of 5.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(3-tert-butyl-5-fluorophenyl)pyrrolidine is sourced from PubChem (CID 170651647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).