1,1,2,4-tetrafluoro-3-hydroxy-3-methylindene-2-carbonitrile

C11H7F4NO — CID 146486849

IUPAC1,1,2,4-tetrafluoro-3-hydroxy-3-methylindene-2-carbonitrile
SMILESCC1(O)c2c(F)cccc2C(F)(F)C1(F)C#N
InChIInChI=1S/C11H7F4NO/c1-9(17)8-6(3-2-4-7(8)12)11(14,15)10(9,13)5-16/h2-4,17H,1H3
InChIKeyFYAKYFDHPLZWJT-UHFFFAOYSA-N
MW245.17 g/mol
LogP2.37
Rot. Bonds

About 1,1,2,4-tetrafluoro-3-hydroxy-3-methylindene-2-carbonitrile

1,1,2,4-tetrafluoro-3-hydroxy-3-methylindene-2-carbonitrile (PubChem CID 146486849) has the molecular formula C11H7F4NO and a molecular weight of 245.17 g/mol. Its IUPAC name is 1,1,2,4-tetrafluoro-3-hydroxy-3-methylindene-2-carbonitrile.

Molecular Properties

Compound Name1,1,2,4-tetrafluoro-3-hydroxy-3-methylindene-2-carbonitrile
PubChem CID146486849
Molecular FormulaC11H7F4NO
Molecular Weight245.17 g/mol
Exact Mass245.05
IUPAC Name1,1,2,4-tetrafluoro-3-hydroxy-3-methylindene-2-carbonitrile
SMILESCC1(O)c2c(F)cccc2C(F)(F)C1(F)C#N
InChIInChI=1S/C11H7F4NO/c1-9(17)8-6(3-2-4-7(8)12)11(14,15)10(9,13)5-16/h2-4,17H,1H3
InChIKeyFYAKYFDHPLZWJT-UHFFFAOYSA-N
XLogP2.37
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.17
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Fluoro-9-(trifluoromethyl)fluoren-9-ol
CID 59492489
2-Fluoro-9-(trifluoromethyl)fluoren-9-ol
CID 59492925
9-(Trifluoromethyl)-9H-fluoren-9-ol
CID 2760747
2-Hydroxy-2-indanecarbonitrile
CID 281490
1-Methyl-2,3-dihydro-1H-inden-1-OL
CID 583751
9-(Difluoromethyl)fluoren-9-ol
CID 134964992
9-Hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile
CID 59492936
9-Hydroxy-9-(trifluoromethyl)fluorene-2-carbonitrile
CID 59493029
3-Fluoro-9-(trifluoromethyl)fluoren-9-ol
CID 59493123
1-Fluoro-9-(trifluoromethyl)fluoren-9-ol
CID 59492710
1-Cyano-1-phenyl-2,2,2-trifluoroethanol
CID 4607338
1-(Trifluoromethyl)-1-indanol
CID 14322775

Frequently Asked Questions

What is the IUPAC name of 1,1,2,4-tetrafluoro-3-hydroxy-3-methylindene-2-carbonitrile?
The IUPAC name of 1,1,2,4-tetrafluoro-3-hydroxy-3-methylindene-2-carbonitrile (CID 146486849) is 1,1,2,4-tetrafluoro-3-hydroxy-3-methylindene-2-carbonitrile.
What is the SMILES notation for 1,1,2,4-tetrafluoro-3-hydroxy-3-methylindene-2-carbonitrile?
The canonical SMILES for 1,1,2,4-tetrafluoro-3-hydroxy-3-methylindene-2-carbonitrile is CC1(O)c2c(F)cccc2C(F)(F)C1(F)C#N.
What is the InChIKey of 1,1,2,4-tetrafluoro-3-hydroxy-3-methylindene-2-carbonitrile?
The InChIKey is FYAKYFDHPLZWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F4NO/c1-9(17)8-6(3-2-4-7(8)12)11(14,15)10(9,13)5-16/h2-4,17H,1H3.
What are the key properties of 1,1,2,4-tetrafluoro-3-hydroxy-3-methylindene-2-carbonitrile?
1,1,2,4-tetrafluoro-3-hydroxy-3-methylindene-2-carbonitrile has a molecular weight of 245.17 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,4-tetrafluoro-3-hydroxy-3-methylindene-2-carbonitrile is sourced from PubChem (CID 146486849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).