tert-butyl N-[2-(2-fluorophenyl)pyrrolidin-3-yl]carbamate

C15H21FN2O2 — CID 84811886

IUPACtert-butyl N-[2-(2-fluorophenyl)pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCNC1c1ccccc1F
InChIInChI=1S/C15H21FN2O2/c1-15(2,3)20-14(19)18-12-8-9-17-13(12)10-6-4-5-7-11(10)16/h4-7,12-13,17H,8-9H2,1-3H3,(H,18,19)
InChIKeyKPBVAGRPNMJUNO-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.75
Rot. Bonds2

About tert-butyl N-[2-(2-fluorophenyl)pyrrolidin-3-yl]carbamate

tert-butyl N-[2-(2-fluorophenyl)pyrrolidin-3-yl]carbamate (PubChem CID 84811886) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is tert-butyl N-[2-(2-fluorophenyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-fluorophenyl)pyrrolidin-3-yl]carbamate
PubChem CID84811886
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Nametert-butyl N-[2-(2-fluorophenyl)pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCNC1c1ccccc1F
InChIInChI=1S/C15H21FN2O2/c1-15(2,3)20-14(19)18-12-8-9-17-13(12)10-6-4-5-7-11(10)16/h4-7,12-13,17H,8-9H2,1-3H3,(H,18,19)
InChIKeyKPBVAGRPNMJUNO-UHFFFAOYSA-N
XLogP2.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(2-methoxyphenyl)pyrrolidin-3-yl]carbamate
CID 84815022
tert-butyl N-[2-(2-hydroxyphenyl)piperidin-3-yl]carbamate
CID 84815016
tert-butyl N-[(2S,3R)-2-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamate
CID 132562193
tert-butyl N-[2-[(2-fluorophenyl)methylamino]cyclopentyl]carbamate
CID 104844649
tert-butyl N-[(2S,4R)-2-(2-fluoro-5-methylphenyl)piperidin-4-yl]carbamate
CID 176681990
tert-butyl N-[4-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 84815333
benzyl (2S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpyrrolidine-1-carboxylate;tert-butyl N-[(2S,3R)-2-phenylpyrrolidin-3-yl]carbamate
CID 158604279
tert-butyl N-[(1R,2R)-2-(2-bromo-3-fluorophenoxy)cyclopentyl]carbamate
CID 166147781
tert-butyl N-[2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]carbamate
CID 154681381
tert-butyl N-[(1S,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-(trifluoromethyl)phenyl]cyclohexyl]carbamate
CID 139444031
tert-butyl N-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)carbamate
CID 155681321
tert-butyl N-(5-fluoroazepan-4-yl)carbamate
CID 86680071

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-fluorophenyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-fluorophenyl)pyrrolidin-3-yl]carbamate (CID 84811886) is tert-butyl N-[2-(2-fluorophenyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-fluorophenyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-fluorophenyl)pyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCNC1c1ccccc1F.
What is the InChIKey of tert-butyl N-[2-(2-fluorophenyl)pyrrolidin-3-yl]carbamate?
The InChIKey is KPBVAGRPNMJUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-15(2,3)20-14(19)18-12-8-9-17-13(12)10-6-4-5-7-11(10)16/h4-7,12-13,17H,8-9H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[2-(2-fluorophenyl)pyrrolidin-3-yl]carbamate?
tert-butyl N-[2-(2-fluorophenyl)pyrrolidin-3-yl]carbamate has a molecular weight of 280.34 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-fluorophenyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 84811886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).