3-fluoro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzonitrile

C17H14FNO — CID 102818056

IUPAC3-fluoro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzonitrile
SMILESN#Cc1cc(F)cc(Oc2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C17H14FNO/c18-15-7-12(11-19)8-17(10-15)20-16-6-5-13-3-1-2-4-14(13)9-16/h5-10H,1-4H2
InChIKeyHPDFNPYEWDCDQC-UHFFFAOYSA-N
MW267.30 g/mol
LogP4.37
Rot. Bonds2

About 3-fluoro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzonitrile

3-fluoro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzonitrile (PubChem CID 102818056) has the molecular formula C17H14FNO and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-fluoro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzonitrile
PubChem CID102818056
Molecular FormulaC17H14FNO
Molecular Weight267.30 g/mol
Exact Mass267.11
IUPAC Name3-fluoro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzonitrile
SMILESN#Cc1cc(F)cc(Oc2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C17H14FNO/c18-15-7-12(11-19)8-17(10-15)20-16-6-5-13-3-1-2-4-14(13)9-16/h5-10H,1-4H2
InChIKeyHPDFNPYEWDCDQC-UHFFFAOYSA-N
XLogP4.37
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-fluorophenoxy)-5-fluorobenzonitrile
CID 102818128
1-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531226
3-(3,5-dimethylphenoxy)-5-fluorobenzonitrile
CID 102817820
4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzonitrile
CID 61398915
3-[3-(dimethylamino)phenoxy]-5-fluorobenzonitrile
CID 102818047
3-(4-chloro-3,5-dimethylphenoxy)-5-fluorobenzonitrile
CID 102817962
3-fluoro-5-(3-nitrophenoxy)benzonitrile
CID 102818009
3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carbonitrile
CID 62684225
3-(2-bromo-4-fluorophenoxy)-5-fluorobenzonitrile
CID 102817771
3-fluoro-5-(2-fluoro-5-methylphenoxy)benzonitrile
CID 102818151
6-(2,6-difluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalene
CID 142255976
4-(3,5-difluorophenoxy)-3,5-difluorobenzonitrile
CID 81283851

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzonitrile?
The IUPAC name of 3-fluoro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzonitrile (CID 102818056) is 3-fluoro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzonitrile.
What is the SMILES notation for 3-fluoro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzonitrile?
The canonical SMILES for 3-fluoro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzonitrile is N#Cc1cc(F)cc(Oc2ccc3c(c2)CCCC3)c1.
What is the InChIKey of 3-fluoro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzonitrile?
The InChIKey is HPDFNPYEWDCDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO/c18-15-7-12(11-19)8-17(10-15)20-16-6-5-13-3-1-2-4-14(13)9-16/h5-10H,1-4H2.
What are the key properties of 3-fluoro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzonitrile?
3-fluoro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzonitrile has a molecular weight of 267.30 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzonitrile is sourced from PubChem (CID 102818056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).