tert-butyl N-[(Z)-2-fluoro-4-pyridin-3-yloxybut-2-enyl]carbamate

C14H19FN2O3 — CID 66982920

IUPACtert-butyl N-[(Z)-2-fluoro-4-pyridin-3-yloxybut-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C(F)=C/COc1cccnc1
InChIInChI=1S/C14H19FN2O3/c1-14(2,3)20-13(18)17-9-11(15)6-8-19-12-5-4-7-16-10-12/h4-7,10H,8-9H2,1-3H3,(H,17,18)/b11-6-
InChIKeyGIJIWCVINKGFFI-WDZFZDKYSA-N
MW282.31 g/mol
LogP2.84
Rot. Bonds5

About tert-butyl N-[(Z)-2-fluoro-4-pyridin-3-yloxybut-2-enyl]carbamate

tert-butyl N-[(Z)-2-fluoro-4-pyridin-3-yloxybut-2-enyl]carbamate (PubChem CID 66982920) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is tert-butyl N-[(Z)-2-fluoro-4-pyridin-3-yloxybut-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-2-fluoro-4-pyridin-3-yloxybut-2-enyl]carbamate
PubChem CID66982920
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Nametert-butyl N-[(Z)-2-fluoro-4-pyridin-3-yloxybut-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C(F)=C/COc1cccnc1
InChIInChI=1S/C14H19FN2O3/c1-14(2,3)20-13(18)17-9-11(15)6-8-19-12-5-4-7-16-10-12/h4-7,10H,8-9H2,1-3H3,(H,17,18)/b11-6-
InChIKeyGIJIWCVINKGFFI-WDZFZDKYSA-N
XLogP2.84
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate
CID 66982746
tert-butyl N-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]carbamate
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tert-butyl N-[(E)-12-pyridin-3-yldodec-3-enyl]carbamate
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tert-butyl N-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]carbamate
CID 165468430
tert-butyl N-[(4S)-4-hydroxy-4-pyridin-3-ylbutyl]carbamate
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tert-butyl N-(pyrazin-2-ylmethyl)carbamate
CID 66970536
tert-butyl N-[2-oxo-2-[3-(pyrazine-2-carbonylamino)propylamino]ethyl]carbamate
CID 108918789
tert-butyl N-[3-fluoro-2-[(4-phenylphenoxy)methyl]prop-2-enyl]carbamate
CID 160720200
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pyridine-3-carboxylic acid
CID 156529146
tert-butyl N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]carbamate
CID 155895576
tert-butyl N-[2-(4-pyridin-4-ylphenoxy)ethyl]carbamate
CID 176896349
tert-butyl N-(2-oxo-2-pyrimidin-5-ylethyl)carbamate
CID 138987299

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-2-fluoro-4-pyridin-3-yloxybut-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-2-fluoro-4-pyridin-3-yloxybut-2-enyl]carbamate (CID 66982920) is tert-butyl N-[(Z)-2-fluoro-4-pyridin-3-yloxybut-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-2-fluoro-4-pyridin-3-yloxybut-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-2-fluoro-4-pyridin-3-yloxybut-2-enyl]carbamate is CC(C)(C)OC(=O)NC/C(F)=C/COc1cccnc1.
What is the InChIKey of tert-butyl N-[(Z)-2-fluoro-4-pyridin-3-yloxybut-2-enyl]carbamate?
The InChIKey is GIJIWCVINKGFFI-WDZFZDKYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-14(2,3)20-13(18)17-9-11(15)6-8-19-12-5-4-7-16-10-12/h4-7,10H,8-9H2,1-3H3,(H,17,18)/b11-6-.
What are the key properties of tert-butyl N-[(Z)-2-fluoro-4-pyridin-3-yloxybut-2-enyl]carbamate?
tert-butyl N-[(Z)-2-fluoro-4-pyridin-3-yloxybut-2-enyl]carbamate has a molecular weight of 282.31 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-2-fluoro-4-pyridin-3-yloxybut-2-enyl]carbamate is sourced from PubChem (CID 66982920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).