2-[4-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-1-methylimidazole

C11H7ClF4N2 — CID 67982099

IUPAC2-[4-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-1-methylimidazole
SMILESCn1ccnc1-c1c(F)cc(Cl)cc1C(F)(F)F
InChIInChI=1S/C11H7ClF4N2/c1-18-3-2-17-10(18)9-7(11(14,15)16)4-6(12)5-8(9)13/h2-5H,1H3
InChIKeyJKKSAZNKPLNURS-UHFFFAOYSA-N
MW278.64 g/mol
LogP3.90
Rot. Bonds1

About 2-[4-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-1-methylimidazole

2-[4-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-1-methylimidazole (PubChem CID 67982099) has the molecular formula C11H7ClF4N2 and a molecular weight of 278.64 g/mol. Its IUPAC name is 2-[4-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[4-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-1-methylimidazole
PubChem CID67982099
Molecular FormulaC11H7ClF4N2
Molecular Weight278.64 g/mol
Exact Mass278.02
IUPAC Name2-[4-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-1-methylimidazole
SMILESCn1ccnc1-c1c(F)cc(Cl)cc1C(F)(F)F
InChIInChI=1S/C11H7ClF4N2/c1-18-3-2-17-10(18)9-7(11(14,15)16)4-6(12)5-8(9)13/h2-5H,1H3
InChIKeyJKKSAZNKPLNURS-UHFFFAOYSA-N
XLogP3.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.64
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-methylimidazole
CID 82077992
3-chloro-5-(1-methylimidazol-2-yl)benzoic acid
CID 107957248
1-methyl-2-[2-propan-2-ylsulfanyl-6-(trifluoromethyl)phenyl]imidazole
CID 67982105
2-(3-chlorophenyl)-1-methylimidazole
CID 57277272
2-bromo-5-chloro-1-fluoro-3-(trifluoromethyl)benzene
CID 131150225
5-chloro-1-fluoro-2-methoxy-3-(trifluoromethyl)benzene
CID 171001774
2-(2-chloro-6-methylphenyl)-1-methylimidazole
CID 90892934
(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 40665594
2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylimidazole
CID 162059449
N-methyl-4-(1-methylimidazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563336
4-[5-chloro-2-(1-methylimidazol-2-yl)-1H-indol-3-yl]phenol
CID 139885647
1-methyl-2-[4-(1-methylimidazol-2-yl)phenyl]imidazole
CID 1088925

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-1-methylimidazole?
The IUPAC name of 2-[4-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-1-methylimidazole (CID 67982099) is 2-[4-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-1-methylimidazole.
What is the SMILES notation for 2-[4-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-1-methylimidazole?
The canonical SMILES for 2-[4-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-1-methylimidazole is Cn1ccnc1-c1c(F)cc(Cl)cc1C(F)(F)F.
What is the InChIKey of 2-[4-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-1-methylimidazole?
The InChIKey is JKKSAZNKPLNURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF4N2/c1-18-3-2-17-10(18)9-7(11(14,15)16)4-6(12)5-8(9)13/h2-5H,1H3.
What are the key properties of 2-[4-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-1-methylimidazole?
2-[4-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-1-methylimidazole has a molecular weight of 278.64 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-1-methylimidazole is sourced from PubChem (CID 67982099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).