6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole

C15H6ClF7N2O — CID 19086708

IUPAC6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole
SMILESFc1cc(C(F)(F)F)cc(Cl)c1Oc1ccc2nc(C(F)(F)F)[nH]c2c1
InChIInChI=1S/C15H6ClF7N2O/c16-8-3-6(14(18,19)20)4-9(17)12(8)26-7-1-2-10-11(5-7)25-13(24-10)15(21,22)23/h1-5H,(H,24,25)
InChIKeyZAPLCEWSPGCONN-UHFFFAOYSA-N
MW398.67 g/mol
LogP6.19
Rot. Bonds2

About 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole

6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole (PubChem CID 19086708) has the molecular formula C15H6ClF7N2O and a molecular weight of 398.67 g/mol. Its IUPAC name is 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole
PubChem CID19086708
Molecular FormulaC15H6ClF7N2O
Molecular Weight398.67 g/mol
Exact Mass398.01
IUPAC Name6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole
SMILESFc1cc(C(F)(F)F)cc(Cl)c1Oc1ccc2nc(C(F)(F)F)[nH]c2c1
InChIInChI=1S/C15H6ClF7N2O/c16-8-3-6(14(18,19)20)4-9(17)12(8)26-7-1-2-10-11(5-7)25-13(24-10)15(21,22)23/h1-5H,(H,24,25)
InChIKeyZAPLCEWSPGCONN-UHFFFAOYSA-N
XLogP6.19
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.67
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-1H-benzimidazol-2-yl]propanoate
CID 19086736
1-chloro-3-fluoro-2-phenoxy-5-(trifluoromethyl)benzene
CID 90892102
3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenol
CID 14878507
6-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-3H-quinazolin-4-one
CID 154400368
2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid
CID 19086705
2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]phenol
CID 15278947
1-chloro-2-(3,4-dinitrophenoxy)-3-fluoro-5-(trifluoromethyl)benzene
CID 15278945
2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]acetamide
CID 19018497
6-chloro-5-[4-chloro-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole
CID 154140309
6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol
CID 19807756
2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]acetic acid;methane
CID 19083128
5-(4-bromophenoxy)-6-chloro-2-(trifluoromethyl)-1H-benzimidazole
CID 154116934

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole (CID 19086708) is 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole is Fc1cc(C(F)(F)F)cc(Cl)c1Oc1ccc2nc(C(F)(F)F)[nH]c2c1.
What is the InChIKey of 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is ZAPLCEWSPGCONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6ClF7N2O/c16-8-3-6(14(18,19)20)4-9(17)12(8)26-7-1-2-10-11(5-7)25-13(24-10)15(21,22)23/h1-5H,(H,24,25).
What are the key properties of 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole?
6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 398.67 g/mol, XLogP of 6.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 19086708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).