5-chloro-2,6-difluorocyclohexa-3,5-diene-1,3-dicarbonitrile

C8H3ClF2N2 — CID 21223086

IUPAC5-chloro-2,6-difluorocyclohexa-3,5-diene-1,3-dicarbonitrile
SMILESN#CC1=CC(Cl)=C(F)C(C#N)C1F
InChIInChI=1S/C8H3ClF2N2/c9-6-1-4(2-12)7(10)5(3-13)8(6)11/h1,5,7H
InChIKeyVSLDXCIXLKRUOL-UHFFFAOYSA-N
MW200.57 g/mol
LogP2.35
Rot. Bonds

About 5-chloro-2,6-difluorocyclohexa-3,5-diene-1,3-dicarbonitrile

5-chloro-2,6-difluorocyclohexa-3,5-diene-1,3-dicarbonitrile (PubChem CID 21223086) has the molecular formula C8H3ClF2N2 and a molecular weight of 200.57 g/mol. Its IUPAC name is 5-chloro-2,6-difluorocyclohexa-3,5-diene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-chloro-2,6-difluorocyclohexa-3,5-diene-1,3-dicarbonitrile
PubChem CID21223086
Molecular FormulaC8H3ClF2N2
Molecular Weight200.57 g/mol
Exact Mass200.00
IUPAC Name5-chloro-2,6-difluorocyclohexa-3,5-diene-1,3-dicarbonitrile
SMILESN#CC1=CC(Cl)=C(F)C(C#N)C1F
InChIInChI=1S/C8H3ClF2N2/c9-6-1-4(2-12)7(10)5(3-13)8(6)11/h1,5,7H
InChIKeyVSLDXCIXLKRUOL-UHFFFAOYSA-N
XLogP2.35
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.57
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Chloro-2,4,6-trifluorocyclohexa-3,5-diene-1,3-dicarbonitrile
CID 19094824
1-Chloro-2,4-difluorocyclohexa-3,5-diene-1,3-dicarbonitrile
CID 19094825
2,4,5-Trifluorocyclohexa-3,5-diene-1,3-dicarbonitrile
CID 21223076
2,6-Difluorocyclohexa-1,3-diene-1,3,5-tricarbonitrile
CID 21223087
1,2,4,6-Tetrafluorocyclohexa-3,5-diene-1,3-dicarbonitrile
CID 22993070
4-Chloro-2-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonitrile
CID 139918287
4-Chloro-1,3,5-trifluorocyclohexa-3,5-diene-1,2-dicarbonitrile
CID 140012333
5-Chloro-1,3,4-trifluorocyclohexa-3,5-diene-1,2-dicarbonitrile
CID 140088937
1,2,4,5-Tetrafluorocyclohexa-3,5-diene-1,3-dicarbonitrile
CID 140991950
2-Fluoro-5-methylcyclohexa-1,5-diene-1,3-dicarbonitrile
CID 146260023
2-Chloro-2-(trifluoromethyl)cyclohexa-3,5-diene-1,3-dicarbonitrile
CID 149608968
5-Chloro-5-(trifluoromethyl)cyclohexa-1,3-diene-1,3-dicarbonitrile
CID 150521115

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,6-difluorocyclohexa-3,5-diene-1,3-dicarbonitrile?
The IUPAC name of 5-chloro-2,6-difluorocyclohexa-3,5-diene-1,3-dicarbonitrile (CID 21223086) is 5-chloro-2,6-difluorocyclohexa-3,5-diene-1,3-dicarbonitrile.
What is the SMILES notation for 5-chloro-2,6-difluorocyclohexa-3,5-diene-1,3-dicarbonitrile?
The canonical SMILES for 5-chloro-2,6-difluorocyclohexa-3,5-diene-1,3-dicarbonitrile is N#CC1=CC(Cl)=C(F)C(C#N)C1F.
What is the InChIKey of 5-chloro-2,6-difluorocyclohexa-3,5-diene-1,3-dicarbonitrile?
The InChIKey is VSLDXCIXLKRUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF2N2/c9-6-1-4(2-12)7(10)5(3-13)8(6)11/h1,5,7H.
What are the key properties of 5-chloro-2,6-difluorocyclohexa-3,5-diene-1,3-dicarbonitrile?
5-chloro-2,6-difluorocyclohexa-3,5-diene-1,3-dicarbonitrile has a molecular weight of 200.57 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,6-difluorocyclohexa-3,5-diene-1,3-dicarbonitrile is sourced from PubChem (CID 21223086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).