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

C13H14FN — CID 171497531

IUPAC7-fluoro-1-propan-2-yl-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCC(C)C1CCc2cc(C#N)cc(F)c21
InChIInChI=1S/C13H14FN/c1-8(2)11-4-3-10-5-9(7-15)6-12(14)13(10)11/h5-6,8,11H,3-4H2,1-2H3
InChIKeyJHMGLTHDYCTWLF-UHFFFAOYSA-N
MW203.26 g/mol
LogP3.38
Rot. Bonds1

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

7-fluoro-1-propan-2-yl-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 171497531) has the molecular formula C13H14FN and a molecular weight of 203.26 g/mol. Its IUPAC name is 7-fluoro-1-propan-2-yl-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name7-fluoro-1-propan-2-yl-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID171497531
Molecular FormulaC13H14FN
Molecular Weight203.26 g/mol
Exact Mass203.11
IUPAC Name7-fluoro-1-propan-2-yl-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCC(C)C1CCc2cc(C#N)cc(F)c21
InChIInChI=1S/C13H14FN/c1-8(2)11-4-3-10-5-9(7-15)6-12(14)13(10)11/h5-6,8,11H,3-4H2,1-2H3
InChIKeyJHMGLTHDYCTWLF-UHFFFAOYSA-N
XLogP3.38
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-7-fluoro-2,3-dihydro-1H-indene-5-carbonitrile
CID 171497514
3,5-difluoro-4-[(1S,2R)-2-propan-2-ylcyclopropyl]benzonitrile
CID 167340262
4-cyclopropyl-3,5-difluorobenzonitrile
CID 118879698
5,6-difluoro-1-propan-2-yl-2,3-dihydro-1H-indene
CID 22975342
6-fluoro-3-propan-2-yl-2,3-dihydro-1H-inden-5-amine
CID 166533995
4-[(1R)-1-aminoethyl]-3,5-difluorobenzonitrile
CID 55292784
3-(1-cyclopropylethylamino)-5-fluoro-4-methylbenzonitrile
CID 43728404
3,5-difluoro-4-[3-(1-hydroxyethyl)piperidin-1-yl]benzonitrile
CID 133397699
3-fluoro-5-(3-propan-2-ylpyrrolidin-1-yl)benzonitrile
CID 102817261
CID 171839539
CID 171839539
(3S)-3-amino-4,6-difluoro-2,3-dihydro-1H-indene-5-carbonitrile
CID 130673520
8-fluoro-3,4-dihydroisoquinoline-6-carbonitrile
CID 162737981

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-propan-2-yl-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of 7-fluoro-1-propan-2-yl-2,3-dihydro-1H-indene-5-carbonitrile (CID 171497531) is 7-fluoro-1-propan-2-yl-2,3-dihydro-1H-indene-5-carbonitrile.
What is the SMILES notation for 7-fluoro-1-propan-2-yl-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for 7-fluoro-1-propan-2-yl-2,3-dihydro-1H-indene-5-carbonitrile is CC(C)C1CCc2cc(C#N)cc(F)c21.
What is the InChIKey of 7-fluoro-1-propan-2-yl-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is JHMGLTHDYCTWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN/c1-8(2)11-4-3-10-5-9(7-15)6-12(14)13(10)11/h5-6,8,11H,3-4H2,1-2H3.
What are the key properties of 7-fluoro-1-propan-2-yl-2,3-dihydro-1H-indene-5-carbonitrile?
7-fluoro-1-propan-2-yl-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 203.26 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-propan-2-yl-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 171497531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).