2-(difluoromethyl)-3-ethyl-6-methyl-6H-cyclohepta[d]imidazole

C12H14F2N2 — CID 163705798

IUPAC2-(difluoromethyl)-3-ethyl-6-methyl-6H-cyclohepta[d]imidazole
SMILESCCn1c(C(F)F)nc2c1C=CC(C)C=C2
InChIInChI=1S/C12H14F2N2/c1-3-16-10-7-5-8(2)4-6-9(10)15-12(16)11(13)14/h4-8,11H,3H2,1-2H3
InChIKeyKEYZAKDTHBUUBO-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.52
Rot. Bonds2

About 2-(difluoromethyl)-3-ethyl-6-methyl-6H-cyclohepta[d]imidazole

2-(difluoromethyl)-3-ethyl-6-methyl-6H-cyclohepta[d]imidazole (PubChem CID 163705798) has the molecular formula C12H14F2N2 and a molecular weight of 224.25 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-ethyl-6-methyl-6H-cyclohepta[d]imidazole.

Molecular Properties

Compound Name2-(difluoromethyl)-3-ethyl-6-methyl-6H-cyclohepta[d]imidazole
PubChem CID163705798
Molecular FormulaC12H14F2N2
Molecular Weight224.25 g/mol
Exact Mass224.11
IUPAC Name2-(difluoromethyl)-3-ethyl-6-methyl-6H-cyclohepta[d]imidazole
SMILESCCn1c(C(F)F)nc2c1C=CC(C)C=C2
InChIInChI=1S/C12H14F2N2/c1-3-16-10-7-5-8(2)4-6-9(10)15-12(16)11(13)14/h4-8,11H,3H2,1-2H3
InChIKeyKEYZAKDTHBUUBO-UHFFFAOYSA-N
XLogP3.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-ethyl-6-methyl-6H-cyclohepta[d]imidazole?
The IUPAC name of 2-(difluoromethyl)-3-ethyl-6-methyl-6H-cyclohepta[d]imidazole (CID 163705798) is 2-(difluoromethyl)-3-ethyl-6-methyl-6H-cyclohepta[d]imidazole.
What is the SMILES notation for 2-(difluoromethyl)-3-ethyl-6-methyl-6H-cyclohepta[d]imidazole?
The canonical SMILES for 2-(difluoromethyl)-3-ethyl-6-methyl-6H-cyclohepta[d]imidazole is CCn1c(C(F)F)nc2c1C=CC(C)C=C2.
What is the InChIKey of 2-(difluoromethyl)-3-ethyl-6-methyl-6H-cyclohepta[d]imidazole?
The InChIKey is KEYZAKDTHBUUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2/c1-3-16-10-7-5-8(2)4-6-9(10)15-12(16)11(13)14/h4-8,11H,3H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-3-ethyl-6-methyl-6H-cyclohepta[d]imidazole?
2-(difluoromethyl)-3-ethyl-6-methyl-6H-cyclohepta[d]imidazole has a molecular weight of 224.25 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-ethyl-6-methyl-6H-cyclohepta[d]imidazole is sourced from PubChem (CID 163705798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).