5-chloro-2,2-difluoro-1,3-benzodioxole

C7H3ClF2O2 — CID 10997868

IUPAC5-chloro-2,2-difluoro-1,3-benzodioxole
SMILESFC1(F)Oc2ccc(Cl)cc2O1
InChIInChI=1S/C7H3ClF2O2/c8-4-1-2-5-6(3-4)12-7(9,10)11-5/h1-3H
InChIKeyCVICEEPAFUYBJG-UHFFFAOYSA-N
MW192.55 g/mol
LogP2.66
Rot. Bonds

About 5-chloro-2,2-difluoro-1,3-benzodioxole

5-chloro-2,2-difluoro-1,3-benzodioxole (PubChem CID 10997868) has the molecular formula C7H3ClF2O2 and a molecular weight of 192.55 g/mol. Its IUPAC name is 5-chloro-2,2-difluoro-1,3-benzodioxole.

Molecular Properties

Compound Name5-chloro-2,2-difluoro-1,3-benzodioxole
PubChem CID10997868
Molecular FormulaC7H3ClF2O2
Molecular Weight192.55 g/mol
Exact Mass191.98
IUPAC Name5-chloro-2,2-difluoro-1,3-benzodioxole
SMILESFC1(F)Oc2ccc(Cl)cc2O1
InChIInChI=1S/C7H3ClF2O2/c8-4-1-2-5-6(3-4)12-7(9,10)11-5/h1-3H
InChIKeyCVICEEPAFUYBJG-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.55
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Difluoro-1,3-benzodioxole
CID 74103
5-Chloro-1,3-benzodioxole
CID 138966
4,5-Dichloro-1,2-methylenedioxybenzene
CID 95061
2,2,5-Trifluoro-1,3-benzodioxole
CID 2776987
5-Bromo-6-chloro-2,2-difluorobenzo[d][1,3]dioxole
CID 11543608
4-Chloro-1,3-benzodioxole
CID 12514092
5-Chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-benzodioxole
CID 176426593
5-Chloro-2-(2,2,2-trifluoroethoxy)-1,3-benzodioxole
CID 176426603
5-Chloro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-1,3-benzodioxole
CID 176426609
5-Chlorobenzo[d][1,3]dioxole-2-thione
CID 11805469
5,6-Dichlorobenzo[d][1,3]dioxol-2-one
CID 129661908
2-Chloro-2-fluoro-1,3-benzodioxole
CID 11008430

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,2-difluoro-1,3-benzodioxole?
The IUPAC name of 5-chloro-2,2-difluoro-1,3-benzodioxole (CID 10997868) is 5-chloro-2,2-difluoro-1,3-benzodioxole.
What is the SMILES notation for 5-chloro-2,2-difluoro-1,3-benzodioxole?
The canonical SMILES for 5-chloro-2,2-difluoro-1,3-benzodioxole is FC1(F)Oc2ccc(Cl)cc2O1.
What is the InChIKey of 5-chloro-2,2-difluoro-1,3-benzodioxole?
The InChIKey is CVICEEPAFUYBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF2O2/c8-4-1-2-5-6(3-4)12-7(9,10)11-5/h1-3H.
What are the key properties of 5-chloro-2,2-difluoro-1,3-benzodioxole?
5-chloro-2,2-difluoro-1,3-benzodioxole has a molecular weight of 192.55 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,2-difluoro-1,3-benzodioxole is sourced from PubChem (CID 10997868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).