5-fluoro-3,4-dihydronaphthalene-1-carbonitrile

C11H8FN — CID 121221897

IUPAC5-fluoro-3,4-dihydronaphthalene-1-carbonitrile
SMILESN#CC1=CCCc2c(F)cccc21
InChIInChI=1S/C11H8FN/c12-11-6-2-4-9-8(7-13)3-1-5-10(9)11/h2-4,6H,1,5H2
InChIKeySKLSIZPTMGQTGI-UHFFFAOYSA-N
MW173.19 g/mol
LogP2.68
Rot. Bonds

About 5-fluoro-3,4-dihydronaphthalene-1-carbonitrile

5-fluoro-3,4-dihydronaphthalene-1-carbonitrile (PubChem CID 121221897) has the molecular formula C11H8FN and a molecular weight of 173.19 g/mol. Its IUPAC name is 5-fluoro-3,4-dihydronaphthalene-1-carbonitrile.

Molecular Properties

Compound Name5-fluoro-3,4-dihydronaphthalene-1-carbonitrile
PubChem CID121221897
Molecular FormulaC11H8FN
Molecular Weight173.19 g/mol
Exact Mass173.06
IUPAC Name5-fluoro-3,4-dihydronaphthalene-1-carbonitrile
SMILESN#CC1=CCCc2c(F)cccc21
InChIInChI=1S/C11H8FN/c12-11-6-2-4-9-8(7-13)3-1-5-10(9)11/h2-4,6H,1,5H2
InChIKeySKLSIZPTMGQTGI-UHFFFAOYSA-N
XLogP2.68
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3,4-dihydronaphthalene-1-carbonitrile?
The IUPAC name of 5-fluoro-3,4-dihydronaphthalene-1-carbonitrile (CID 121221897) is 5-fluoro-3,4-dihydronaphthalene-1-carbonitrile.
What is the SMILES notation for 5-fluoro-3,4-dihydronaphthalene-1-carbonitrile?
The canonical SMILES for 5-fluoro-3,4-dihydronaphthalene-1-carbonitrile is N#CC1=CCCc2c(F)cccc21.
What is the InChIKey of 5-fluoro-3,4-dihydronaphthalene-1-carbonitrile?
The InChIKey is SKLSIZPTMGQTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN/c12-11-6-2-4-9-8(7-13)3-1-5-10(9)11/h2-4,6H,1,5H2.
What are the key properties of 5-fluoro-3,4-dihydronaphthalene-1-carbonitrile?
5-fluoro-3,4-dihydronaphthalene-1-carbonitrile has a molecular weight of 173.19 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3,4-dihydronaphthalene-1-carbonitrile is sourced from PubChem (CID 121221897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).