tert-butyl N-[3-(2-fluoroethyl)-4-pyridinyl]carbamate

C12H17FN2O2 — CID 86706800

IUPACtert-butyl N-[3-(2-fluoroethyl)-4-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccncc1CCF
InChIInChI=1S/C12H17FN2O2/c1-12(2,3)17-11(16)15-10-5-7-14-8-9(10)4-6-13/h5,7-8H,4,6H2,1-3H3,(H,14,15,16)
InChIKeyADEYHCLFCIMZPG-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.94
Rot. Bonds3

About tert-butyl N-[3-(2-fluoroethyl)-4-pyridinyl]carbamate

tert-butyl N-[3-(2-fluoroethyl)-4-pyridinyl]carbamate (PubChem CID 86706800) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is tert-butyl N-[3-(2-fluoroethyl)-4-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-fluoroethyl)-4-pyridinyl]carbamate
PubChem CID86706800
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Nametert-butyl N-[3-(2-fluoroethyl)-4-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccncc1CCF
InChIInChI=1S/C12H17FN2O2/c1-12(2,3)17-11(16)15-10-5-7-14-8-9(10)4-6-13/h5,7-8H,4,6H2,1-3H3,(H,14,15,16)
InChIKeyADEYHCLFCIMZPG-UHFFFAOYSA-N
XLogP2.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(3-tert-butyl-4-pyridinyl)carbamate
CID 19871466
tert-butyl N-[3-(2,2-difluoroethoxy)-4-pyridinyl]carbamate
CID 170730754
tert-butyl N-[3-(methylcarbamoyl)-4-pyridinyl]carbamate
CID 58835250
tert-butyl N-[2-(4-chloro-3-pyridinyl)ethyl]carbamate
CID 141078611
tert-butyl N-[3-(1-chlorocyclopropyl)-4-pyridinyl]carbamate
CID 171497546
3-hydroxy-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]pentanoic acid
CID 175230653
tert-butyl N-[4-(6-chloropyridazin-3-yl)-3-pyridinyl]carbamate
CID 177188563
tert-butyl N-[3-[(4-methoxybenzoyl)amino]-4-pyridinyl]carbamate
CID 12069537
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]prop-2-enoate
CID 68898452
tert-butyl N-[2-[2-oxo-2-(4-pyridin-4-ylphenyl)ethyl]phenyl]carbamate
CID 159441655
tert-butyl N-(2-bromo-3-fluoro-4-pyridinyl)carbamate
CID 118295548
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridin-4-ylphenyl]carbamate
CID 58164084

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-fluoroethyl)-4-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-fluoroethyl)-4-pyridinyl]carbamate (CID 86706800) is tert-butyl N-[3-(2-fluoroethyl)-4-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-fluoroethyl)-4-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-fluoroethyl)-4-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccncc1CCF.
What is the InChIKey of tert-butyl N-[3-(2-fluoroethyl)-4-pyridinyl]carbamate?
The InChIKey is ADEYHCLFCIMZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-12(2,3)17-11(16)15-10-5-7-14-8-9(10)4-6-13/h5,7-8H,4,6H2,1-3H3,(H,14,15,16).
What are the key properties of tert-butyl N-[3-(2-fluoroethyl)-4-pyridinyl]carbamate?
tert-butyl N-[3-(2-fluoroethyl)-4-pyridinyl]carbamate has a molecular weight of 240.28 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-fluoroethyl)-4-pyridinyl]carbamate is sourced from PubChem (CID 86706800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).