1-ethyl-7-fluoro-2,3-dihydro-1H-indene-5-carbonitrile

C12H12FN — CID 171497514

IUPAC1-ethyl-7-fluoro-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCCC1CCc2cc(C#N)cc(F)c21
InChIInChI=1S/C12H12FN/c1-2-9-3-4-10-5-8(7-14)6-11(13)12(9)10/h5-6,9H,2-4H2,1H3
InChIKeyGPUGPQMZCHJIAS-UHFFFAOYSA-N
MW189.23 g/mol
LogP3.14
Rot. Bonds1

About 1-ethyl-7-fluoro-2,3-dihydro-1H-indene-5-carbonitrile

1-ethyl-7-fluoro-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 171497514) has the molecular formula C12H12FN and a molecular weight of 189.23 g/mol. Its IUPAC name is 1-ethyl-7-fluoro-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name1-ethyl-7-fluoro-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID171497514
Molecular FormulaC12H12FN
Molecular Weight189.23 g/mol
Exact Mass189.10
IUPAC Name1-ethyl-7-fluoro-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCCC1CCc2cc(C#N)cc(F)c21
InChIInChI=1S/C12H12FN/c1-2-9-3-4-10-5-8(7-14)6-11(13)12(9)10/h5-6,9H,2-4H2,1H3
InChIKeyGPUGPQMZCHJIAS-UHFFFAOYSA-N
XLogP3.14
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-fluoro-1-propan-2-yl-2,3-dihydro-1H-indene-5-carbonitrile
CID 171497531
4-cyclopropyl-3,5-difluorobenzonitrile
CID 118879698
6-[4-(4-ethylcyclohexyl)-2,6-difluorophenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139849828
(5,7-difluoro-2,3-dihydro-1H-inden-1-yl)methanamine
CID 84768946
3,5-difluoro-4-[(1S,2R)-2-propan-2-ylcyclopropyl]benzonitrile
CID 167340262
6-(2,6-difluoro-4-hexylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848041
4-[[(4-ethylcyclohexyl)amino]methyl]-3,5-difluorobenzonitrile
CID 107038168
(3S)-3-amino-4,6-difluoro-2,3-dihydro-1H-indene-5-carbonitrile
CID 130673520
4-(4-ethylazepan-1-yl)-3,5-difluorobenzonitrile
CID 78992299
6-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848488
4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3-fluorobenzonitrile
CID 83137192
6-[4-(4-ethylcyclohexyl)-2,6-difluorophenyl]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848700

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-fluoro-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of 1-ethyl-7-fluoro-2,3-dihydro-1H-indene-5-carbonitrile (CID 171497514) is 1-ethyl-7-fluoro-2,3-dihydro-1H-indene-5-carbonitrile.
What is the SMILES notation for 1-ethyl-7-fluoro-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for 1-ethyl-7-fluoro-2,3-dihydro-1H-indene-5-carbonitrile is CCC1CCc2cc(C#N)cc(F)c21.
What is the InChIKey of 1-ethyl-7-fluoro-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is GPUGPQMZCHJIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN/c1-2-9-3-4-10-5-8(7-14)6-11(13)12(9)10/h5-6,9H,2-4H2,1H3.
What are the key properties of 1-ethyl-7-fluoro-2,3-dihydro-1H-indene-5-carbonitrile?
1-ethyl-7-fluoro-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 189.23 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-fluoro-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 171497514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).