2-(2,3-dihydro-1H-inden-4-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonitrile

C20H18FN — CID 175845223

IUPAC2-(2,3-dihydro-1H-inden-4-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
SMILESN#Cc1c2c(cc(F)c1-c1cccc3c1CCC3)CCCC2
InChIInChI=1S/C20H18FN/c21-19-11-14-5-1-2-8-16(14)18(12-22)20(19)17-10-4-7-13-6-3-9-15(13)17/h4,7,10-11H,1-3,5-6,8-9H2
InChIKeyPQUOXDLDXZSWAC-UHFFFAOYSA-N
MW291.37 g/mol
LogP4.73
Rot. Bonds1

About 2-(2,3-dihydro-1H-inden-4-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonitrile

2-(2,3-dihydro-1H-inden-4-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonitrile (PubChem CID 175845223) has the molecular formula C20H18FN and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-4-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonitrile.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-4-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
PubChem CID175845223
Molecular FormulaC20H18FN
Molecular Weight291.37 g/mol
Exact Mass291.14
IUPAC Name2-(2,3-dihydro-1H-inden-4-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
SMILESN#Cc1c2c(cc(F)c1-c1cccc3c1CCC3)CCCC2
InChIInChI=1S/C20H18FN/c21-19-11-14-5-1-2-8-16(14)18(12-22)20(19)17-10-4-7-13-6-3-9-15(13)17/h4,7,10-11H,1-3,5-6,8-9H2
InChIKeyPQUOXDLDXZSWAC-UHFFFAOYSA-N
XLogP4.73
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-2-fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
CID 177336776
9-(5,6,7,8-tetrahydronaphthalen-1-yl)-10-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]anthracene
CID 59858821
3,6-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,4,5-tetrazine
CID 146453462
2-fluoro-6-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine
CID 140732685
2-[3-(2,3-dimethylphenyl)-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazole-8-carbonitrile
CID 167201388
4-(4-cyano-2,6-dimethylphenyl)-1,3-dihydroisoindole-2-carbonitrile
CID 130430470
phosphoric acid;5-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydronaphthalene
CID 23110735
4-(2-methylphenyl)-2,3-dihydro-1H-indene-5-carbonitrile
CID 96597680
3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
CID 117383063
4-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 126626843
1,2,3,4-tetrahydrophenanthrene-9-carbonitrile
CID 70596555
3-chloro-1-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
CID 94282072

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-4-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonitrile?
The IUPAC name of 2-(2,3-dihydro-1H-inden-4-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonitrile (CID 175845223) is 2-(2,3-dihydro-1H-inden-4-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonitrile.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-4-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonitrile?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-4-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonitrile is N#Cc1c2c(cc(F)c1-c1cccc3c1CCC3)CCCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-4-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonitrile?
The InChIKey is PQUOXDLDXZSWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN/c21-19-11-14-5-1-2-8-16(14)18(12-22)20(19)17-10-4-7-13-6-3-9-15(13)17/h4,7,10-11H,1-3,5-6,8-9H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-4-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonitrile?
2-(2,3-dihydro-1H-inden-4-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonitrile has a molecular weight of 291.37 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-4-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonitrile is sourced from PubChem (CID 175845223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).