6-chloro-6,7,7-trifluoro-2-(trifluoromethyl)-1H-[1,4]dioxino[2,3-f]benzimidazole

C10H3ClF6N2O2 — CID 14011580

IUPAC6-chloro-6,7,7-trifluoro-2-(trifluoromethyl)-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESFC(F)(F)c1nc2cc3c(cc2[nH]1)OC(F)(F)C(F)(Cl)O3
InChIInChI=1S/C10H3ClF6N2O2/c11-9(15)10(16,17)21-6-2-4-3(1-5(6)20-9)18-7(19-4)8(12,13)14/h1-2H,(H,18,19)
InChIKeyINCOJZGIYZTANZ-UHFFFAOYSA-N
MW332.59 g/mol
LogP3.81
Rot. Bonds

About 6-chloro-6,7,7-trifluoro-2-(trifluoromethyl)-1H-[1,4]dioxino[2,3-f]benzimidazole

6-chloro-6,7,7-trifluoro-2-(trifluoromethyl)-1H-[1,4]dioxino[2,3-f]benzimidazole (PubChem CID 14011580) has the molecular formula C10H3ClF6N2O2 and a molecular weight of 332.59 g/mol. Its IUPAC name is 6-chloro-6,7,7-trifluoro-2-(trifluoromethyl)-1H-[1,4]dioxino[2,3-f]benzimidazole.

Molecular Properties

Compound Name6-chloro-6,7,7-trifluoro-2-(trifluoromethyl)-1H-[1,4]dioxino[2,3-f]benzimidazole
PubChem CID14011580
Molecular FormulaC10H3ClF6N2O2
Molecular Weight332.59 g/mol
Exact Mass331.98
IUPAC Name6-chloro-6,7,7-trifluoro-2-(trifluoromethyl)-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESFC(F)(F)c1nc2cc3c(cc2[nH]1)OC(F)(F)C(F)(Cl)O3
InChIInChI=1S/C10H3ClF6N2O2/c11-9(15)10(16,17)21-6-2-4-3(1-5(6)20-9)18-7(19-4)8(12,13)14/h1-2H,(H,18,19)
InChIKeyINCOJZGIYZTANZ-UHFFFAOYSA-N
XLogP3.81
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.59
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-methyl-1H-1,3-benzodiazole
CID 3509826
5,6-Dimethoxybenzimidazole
CID 601221
5-Methyl-10,13-dioxa-4,6-diazatricyclo[7.4.0.0,3,7]trideca-1(9),2,4,7-tetraene
CID 2461344
(E)-2-(1H-benzo[d]imidazol-2-yl)-3-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)amino)acrylonitrile
CID 1566703
5-Ethoxy-2-methyl-1H-benzo[d]imidazole
CID 4018920
Acetamide, N-(5,6-dimethoxy-2-benzimidazolyl)-
CID 37203
Benzimidazole, 5,6-dimethoxy-2-(trifluoromethyl)-
CID 55952
5,6-Dimethoxy-1H-benzimidazol-2-amine
CID 19017768
2-Chloro-5-methoxy-1H-benzimidazole
CID 519197
3-(1H-benzimidazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 5309906
6,6'-oxybis[2-(trifluoromethyl)-1H-benzimidazole]
CID 1120305
2-(1,4-Benzodioxan-2-ylmethyl)benzimidazole hydrochloride
CID 12761781

Frequently Asked Questions

What is the IUPAC name of 6-chloro-6,7,7-trifluoro-2-(trifluoromethyl)-1H-[1,4]dioxino[2,3-f]benzimidazole?
The IUPAC name of 6-chloro-6,7,7-trifluoro-2-(trifluoromethyl)-1H-[1,4]dioxino[2,3-f]benzimidazole (CID 14011580) is 6-chloro-6,7,7-trifluoro-2-(trifluoromethyl)-1H-[1,4]dioxino[2,3-f]benzimidazole.
What is the SMILES notation for 6-chloro-6,7,7-trifluoro-2-(trifluoromethyl)-1H-[1,4]dioxino[2,3-f]benzimidazole?
The canonical SMILES for 6-chloro-6,7,7-trifluoro-2-(trifluoromethyl)-1H-[1,4]dioxino[2,3-f]benzimidazole is FC(F)(F)c1nc2cc3c(cc2[nH]1)OC(F)(F)C(F)(Cl)O3.
What is the InChIKey of 6-chloro-6,7,7-trifluoro-2-(trifluoromethyl)-1H-[1,4]dioxino[2,3-f]benzimidazole?
The InChIKey is INCOJZGIYZTANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3ClF6N2O2/c11-9(15)10(16,17)21-6-2-4-3(1-5(6)20-9)18-7(19-4)8(12,13)14/h1-2H,(H,18,19).
What are the key properties of 6-chloro-6,7,7-trifluoro-2-(trifluoromethyl)-1H-[1,4]dioxino[2,3-f]benzimidazole?
6-chloro-6,7,7-trifluoro-2-(trifluoromethyl)-1H-[1,4]dioxino[2,3-f]benzimidazole has a molecular weight of 332.59 g/mol, XLogP of 3.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-6,7,7-trifluoro-2-(trifluoromethyl)-1H-[1,4]dioxino[2,3-f]benzimidazole is sourced from PubChem (CID 14011580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).