[6-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate

C16H15FN2O2 — CID 175568737

IUPAC[6-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
SMILESNC(=O)OC1CCCc2cc(-c3ccncc3F)ccc21
InChIInChI=1S/C16H15FN2O2/c17-14-9-19-7-6-12(14)11-4-5-13-10(8-11)2-1-3-15(13)21-16(18)20/h4-9,15H,1-3H2,(H2,18,20)
InChIKeyQFKPWBXLNDSEAI-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.36
Rot. Bonds2

About [6-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate

[6-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate (PubChem CID 175568737) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is [6-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate.

Molecular Properties

Compound Name[6-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
PubChem CID175568737
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name[6-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
SMILESNC(=O)OC1CCCc2cc(-c3ccncc3F)ccc21
InChIInChI=1S/C16H15FN2O2/c17-14-9-19-7-6-12(14)11-4-5-13-10(8-11)2-1-3-15(13)21-16(18)20/h4-9,15H,1-3H2,(H2,18,20)
InChIKeyQFKPWBXLNDSEAI-UHFFFAOYSA-N
XLogP3.36
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate?
The IUPAC name of [6-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate (CID 175568737) is [6-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate.
What is the SMILES notation for [6-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate?
The canonical SMILES for [6-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate is NC(=O)OC1CCCc2cc(-c3ccncc3F)ccc21.
What is the InChIKey of [6-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate?
The InChIKey is QFKPWBXLNDSEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c17-14-9-19-7-6-12(14)11-4-5-13-10(8-11)2-1-3-15(13)21-16(18)20/h4-9,15H,1-3H2,(H2,18,20).
What are the key properties of [6-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate?
[6-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate has a molecular weight of 286.31 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate is sourced from PubChem (CID 175568737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).