tert-butyl N-[4-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate

C16H23FN2O2 — CID 84815333

IUPACtert-butyl N-[4-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CNCC1Cc1ccccc1F
InChIInChI=1S/C16H23FN2O2/c1-16(2,3)21-15(20)19-14-10-18-9-12(14)8-11-6-4-5-7-13(11)17/h4-7,12,14,18H,8-10H2,1-3H3,(H,19,20)
InChIKeyIBFUTTZOSJKCGT-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.48
Rot. Bonds3

About tert-butyl N-[4-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate

tert-butyl N-[4-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate (PubChem CID 84815333) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is tert-butyl N-[4-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate
PubChem CID84815333
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Nametert-butyl N-[4-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CNCC1Cc1ccccc1F
InChIInChI=1S/C16H23FN2O2/c1-16(2,3)21-15(20)19-14-10-18-9-12(14)8-11-6-4-5-7-13(11)17/h4-7,12,14,18H,8-10H2,1-3H3,(H,19,20)
InChIKeyIBFUTTZOSJKCGT-UHFFFAOYSA-N
XLogP2.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(3R,4R)-4-ethylpyrrolidin-3-yl]carbamate
CID 22871836
tert-butyl N-[(3R,4S)-4-ethylpyrrolidin-3-yl]carbamate
CID 22880752
tert-butyl N-[2-[(2-fluorophenyl)methylamino]cyclopentyl]carbamate
CID 104844649
tert-butyl N-[(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamate
CID 137480727
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl N-[(3S,4R)-4-(3,4-difluorophenyl)pyrrolidin-3-yl]carbamate
CID 123677655
tert-butyl N-[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]carbamate
CID 155905095
tert-butyl N-[(4R)-4-fluoropyrrolidin-3-yl]carbamate
CID 166849692
tert-butyl N-(4-tert-butylpyrrolidin-3-yl)carbamate
CID 121207555
tert-butyl N-[1-[(2-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 110409696
tert-butyl N-[(3R,4S)-4-(2-fluoro-5-methylphenyl)pyrrolidin-3-yl]carbamate
CID 66691976
tert-butyl N-[(3R,4R)-4-fluoropyrrolidin-3-yl]carbamate;hydrochloride
CID 134813670

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate (CID 84815333) is tert-butyl N-[4-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CNCC1Cc1ccccc1F.
What is the InChIKey of tert-butyl N-[4-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate?
The InChIKey is IBFUTTZOSJKCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-16(2,3)21-15(20)19-14-10-18-9-12(14)8-11-6-4-5-7-13(11)17/h4-7,12,14,18H,8-10H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[4-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate?
tert-butyl N-[4-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate has a molecular weight of 294.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 84815333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).