6-fluoro-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile

C11H10FN — CID 82074865

IUPAC6-fluoro-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile
SMILESCC1CC(C#N)c2cc(F)ccc21
InChIInChI=1S/C11H10FN/c1-7-4-8(6-13)11-5-9(12)2-3-10(7)11/h2-3,5,7-8H,4H2,1H3
InChIKeyWCZJAABXUVJPLJ-UHFFFAOYSA-N
MW175.21 g/mol
LogP2.94
Rot. Bonds

About 6-fluoro-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile

6-fluoro-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile (PubChem CID 82074865) has the molecular formula C11H10FN and a molecular weight of 175.21 g/mol. Its IUPAC name is 6-fluoro-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile.

Molecular Properties

Compound Name6-fluoro-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile
PubChem CID82074865
Molecular FormulaC11H10FN
Molecular Weight175.21 g/mol
Exact Mass175.08
IUPAC Name6-fluoro-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile
SMILESCC1CC(C#N)c2cc(F)ccc21
InChIInChI=1S/C11H10FN/c1-7-4-8(6-13)11-5-9(12)2-3-10(7)11/h2-3,5,7-8H,4H2,1H3
InChIKeyWCZJAABXUVJPLJ-UHFFFAOYSA-N
XLogP2.94
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene
CID 63821756
3-ethyl-5-fluoro-1-methyl-2,3-dihydro-1H-indene
CID 126625151
2-(6-fluoro-3-methyl-2,3-dihydro-1H-inden-1-yl)ethanol
CID 82075944
6-fluoro-1,2,3,4-tetrahydroquinoline-4-carbonitrile
CID 83635919
(1S)-7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417616
7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417620
(1R)-6-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837861
1,4-difluoro-2-[(1S,2R)-2-propan-2-ylcyclopropyl]benzene
CID 167340119
6-fluoro-2,3-dimethyl-2,3-dihydro-1H-inden-1-ol
CID 79726555
6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 115010803
7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene
CID 144911984
6-fluoro-2-methyl-N-(2-methylcyclopropyl)-2,3-dihydro-1H-inden-1-amine
CID 115716856

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile?
The IUPAC name of 6-fluoro-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile (CID 82074865) is 6-fluoro-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile.
What is the SMILES notation for 6-fluoro-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile?
The canonical SMILES for 6-fluoro-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile is CC1CC(C#N)c2cc(F)ccc21.
What is the InChIKey of 6-fluoro-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile?
The InChIKey is WCZJAABXUVJPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN/c1-7-4-8(6-13)11-5-9(12)2-3-10(7)11/h2-3,5,7-8H,4H2,1H3.
What are the key properties of 6-fluoro-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile?
6-fluoro-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile has a molecular weight of 175.21 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile is sourced from PubChem (CID 82074865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).