1,4,5,6-tetrafluorocyclohexa-3,5-diene-1,3-dicarbonyl chloride

C8H2Cl2F4O2 — CID 172791395

IUPAC1,4,5,6-tetrafluorocyclohexa-3,5-diene-1,3-dicarbonyl chloride
SMILESO=C(Cl)C1=C(F)C(F)=C(F)C(F)(C(=O)Cl)C1
InChIInChI=1S/C8H2Cl2F4O2/c9-6(15)2-1-8(14,7(10)16)5(13)4(12)3(2)11/h1H2
InChIKeyPPRZKIGJNIXURE-UHFFFAOYSA-N
MW277.00 g/mol
LogP3.00
Rot. Bonds2

About 1,4,5,6-tetrafluorocyclohexa-3,5-diene-1,3-dicarbonyl chloride

1,4,5,6-tetrafluorocyclohexa-3,5-diene-1,3-dicarbonyl chloride (PubChem CID 172791395) has the molecular formula C8H2Cl2F4O2 and a molecular weight of 277.00 g/mol. Its IUPAC name is 1,4,5,6-tetrafluorocyclohexa-3,5-diene-1,3-dicarbonyl chloride.

Molecular Properties

Compound Name1,4,5,6-tetrafluorocyclohexa-3,5-diene-1,3-dicarbonyl chloride
PubChem CID172791395
Molecular FormulaC8H2Cl2F4O2
Molecular Weight277.00 g/mol
Exact Mass275.94
IUPAC Name1,4,5,6-tetrafluorocyclohexa-3,5-diene-1,3-dicarbonyl chloride
SMILESO=C(Cl)C1=C(F)C(F)=C(F)C(F)(C(=O)Cl)C1
InChIInChI=1S/C8H2Cl2F4O2/c9-6(15)2-1-8(14,7(10)16)5(13)4(12)3(2)11/h1H2
InChIKeyPPRZKIGJNIXURE-UHFFFAOYSA-N
XLogP3.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.00
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3,3-difluorocyclobutene-1-carbonyl chloride
CID 163866142
1,3,5-trifluorocyclohexa-2,4-diene-1-carbonyl chloride
CID 87571777
5-chloro-1,2,3,4,5-pentafluorocyclopenta-1,3-diene
CID 14024623
2-fluorobenzoyl chloride
CID 9808
(1R)-2,2-difluorocyclopropane-1-carbonyl chloride
CID 124563920
2-fluorobenzoyl chloride;hydrochloride
CID 172728813
1,2,2,3,3,4,4,5,5-nonafluorocyclopentane-1-carbonyl chloride
CID 141293641
trans-(1S,2S)-2-chloro-2-fluoro-1-methylcyclopropane-1-carbonyl chloride
CID 45081433
2,4,5,6-tetrafluorobenzene-1,3-dicarbonyl chloride
CID 18764629
3-methylcyclohexene-1,2-dicarbonyl chloride
CID 142725909
3-phenylbicyclo[1.1.1]pentane-1-carbonyl chloride
CID 134895483
1,2,4,5,6,7,7-heptafluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 89386743

Frequently Asked Questions

What is the IUPAC name of 1,4,5,6-tetrafluorocyclohexa-3,5-diene-1,3-dicarbonyl chloride?
The IUPAC name of 1,4,5,6-tetrafluorocyclohexa-3,5-diene-1,3-dicarbonyl chloride (CID 172791395) is 1,4,5,6-tetrafluorocyclohexa-3,5-diene-1,3-dicarbonyl chloride.
What is the SMILES notation for 1,4,5,6-tetrafluorocyclohexa-3,5-diene-1,3-dicarbonyl chloride?
The canonical SMILES for 1,4,5,6-tetrafluorocyclohexa-3,5-diene-1,3-dicarbonyl chloride is O=C(Cl)C1=C(F)C(F)=C(F)C(F)(C(=O)Cl)C1.
What is the InChIKey of 1,4,5,6-tetrafluorocyclohexa-3,5-diene-1,3-dicarbonyl chloride?
The InChIKey is PPRZKIGJNIXURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl2F4O2/c9-6(15)2-1-8(14,7(10)16)5(13)4(12)3(2)11/h1H2.
What are the key properties of 1,4,5,6-tetrafluorocyclohexa-3,5-diene-1,3-dicarbonyl chloride?
1,4,5,6-tetrafluorocyclohexa-3,5-diene-1,3-dicarbonyl chloride has a molecular weight of 277.00 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6-tetrafluorocyclohexa-3,5-diene-1,3-dicarbonyl chloride is sourced from PubChem (CID 172791395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).