2-fluoro-6-hydroxy-4-methylidenecyclohexa-1,5-diene-1-carbonitrile

C8H6FNO — CID 163467942

IUPAC2-fluoro-6-hydroxy-4-methylidenecyclohexa-1,5-diene-1-carbonitrile
SMILESC=C1C=C(O)C(C#N)=C(F)C1
InChIInChI=1S/C8H6FNO/c1-5-2-7(9)6(4-10)8(11)3-5/h3,11H,1-2H2
InChIKeyBUEUREOMRVGHQI-UHFFFAOYSA-N
MW151.14 g/mol
LogP2.14
Rot. Bonds

About 2-fluoro-6-hydroxy-4-methylidenecyclohexa-1,5-diene-1-carbonitrile

2-fluoro-6-hydroxy-4-methylidenecyclohexa-1,5-diene-1-carbonitrile (PubChem CID 163467942) has the molecular formula C8H6FNO and a molecular weight of 151.14 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-4-methylidenecyclohexa-1,5-diene-1-carbonitrile.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-4-methylidenecyclohexa-1,5-diene-1-carbonitrile
PubChem CID163467942
Molecular FormulaC8H6FNO
Molecular Weight151.14 g/mol
Exact Mass151.04
IUPAC Name2-fluoro-6-hydroxy-4-methylidenecyclohexa-1,5-diene-1-carbonitrile
SMILESC=C1C=C(O)C(C#N)=C(F)C1
InChIInChI=1S/C8H6FNO/c1-5-2-7(9)6(4-10)8(11)3-5/h3,11H,1-2H2
InChIKeyBUEUREOMRVGHQI-UHFFFAOYSA-N
XLogP2.14
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3E)-3-fluoro-5-hydroxy-2-methylidenehexa-3,5-dienenitrile
CID 142974058
(3E)-5-hydroxy-2-methylidene-3-(trifluoromethyl)hexa-3,5-dienenitrile
CID 143092600
(3E,7E,11E)-3,7,11-trifluoro-13-hydroxy-2,5,6,9,10-pentamethylidenetetradeca-3,7,11,13-tetraenenitrile
CID 145464183
2-[4-(Dicyanomethylidene)-2-fluoro-5-hydroxycyclohexa-2,5-dien-1-ylidene]propanedinitrile
CID 101923583
4-Hydroxy-2-methylbenzene-6-ide-1-carbonitrile;yttrium
CID 60068937
(3Z,5Z)-5-hydroxy-4-methyl-2-methylidenehepta-3,5-dienenitrile
CID 88580927
2-(4-Hydroxy-3,5-dimethyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)propanedinitrile
CID 91343811
6-Hydroxy-3-methylcyclohexa-1,5-diene-1-carbonitrile
CID 135215340
4-Hydroxycyclohepta-1,3,5-triene-1-carbonitrile
CID 142917197
6-Hydroxycyclohexa-1,5-diene-1-carbonitrile
CID 142981296
2-Hydroxy-3,4-dimethylcyclohepta-1,3,6-triene-1-carbonitrile
CID 143819019
7-Hydroxy-3-methylcyclohepta-1,3,6-triene-1-carbonitrile
CID 144151568

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-4-methylidenecyclohexa-1,5-diene-1-carbonitrile?
The IUPAC name of 2-fluoro-6-hydroxy-4-methylidenecyclohexa-1,5-diene-1-carbonitrile (CID 163467942) is 2-fluoro-6-hydroxy-4-methylidenecyclohexa-1,5-diene-1-carbonitrile.
What is the SMILES notation for 2-fluoro-6-hydroxy-4-methylidenecyclohexa-1,5-diene-1-carbonitrile?
The canonical SMILES for 2-fluoro-6-hydroxy-4-methylidenecyclohexa-1,5-diene-1-carbonitrile is C=C1C=C(O)C(C#N)=C(F)C1.
What is the InChIKey of 2-fluoro-6-hydroxy-4-methylidenecyclohexa-1,5-diene-1-carbonitrile?
The InChIKey is BUEUREOMRVGHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO/c1-5-2-7(9)6(4-10)8(11)3-5/h3,11H,1-2H2.
What are the key properties of 2-fluoro-6-hydroxy-4-methylidenecyclohexa-1,5-diene-1-carbonitrile?
2-fluoro-6-hydroxy-4-methylidenecyclohexa-1,5-diene-1-carbonitrile has a molecular weight of 151.14 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-4-methylidenecyclohexa-1,5-diene-1-carbonitrile is sourced from PubChem (CID 163467942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).