6-(1,1-difluoroethyl)-2,3-dimethyl-7H-cyclohepta[d]imidazole

C12H14F2N2 — CID 146359471

IUPAC6-(1,1-difluoroethyl)-2,3-dimethyl-7H-cyclohepta[d]imidazole
SMILESCc1nc2c(n1C)=CC=C(C(C)(F)F)CC=2
InChIInChI=1S/C12H14F2N2/c1-8-15-10-6-4-9(12(2,13)14)5-7-11(10)16(8)3/h5-7H,4H2,1-3H3
InChIKeyWINZTJYYCPHUNJ-UHFFFAOYSA-N
MW224.25 g/mol
LogP1.27
Rot. Bonds1

About 6-(1,1-difluoroethyl)-2,3-dimethyl-7H-cyclohepta[d]imidazole

6-(1,1-difluoroethyl)-2,3-dimethyl-7H-cyclohepta[d]imidazole (PubChem CID 146359471) has the molecular formula C12H14F2N2 and a molecular weight of 224.25 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-2,3-dimethyl-7H-cyclohepta[d]imidazole.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-2,3-dimethyl-7H-cyclohepta[d]imidazole
PubChem CID146359471
Molecular FormulaC12H14F2N2
Molecular Weight224.25 g/mol
Exact Mass224.11
IUPAC Name6-(1,1-difluoroethyl)-2,3-dimethyl-7H-cyclohepta[d]imidazole
SMILESCc1nc2c(n1C)=CC=C(C(C)(F)F)CC=2
InChIInChI=1S/C12H14F2N2/c1-8-15-10-6-4-9(12(2,13)14)5-7-11(10)16(8)3/h5-7H,4H2,1-3H3
InChIKeyWINZTJYYCPHUNJ-UHFFFAOYSA-N
XLogP1.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-2,3-dimethyl-7H-cyclohepta[d]imidazole?
The IUPAC name of 6-(1,1-difluoroethyl)-2,3-dimethyl-7H-cyclohepta[d]imidazole (CID 146359471) is 6-(1,1-difluoroethyl)-2,3-dimethyl-7H-cyclohepta[d]imidazole.
What is the SMILES notation for 6-(1,1-difluoroethyl)-2,3-dimethyl-7H-cyclohepta[d]imidazole?
The canonical SMILES for 6-(1,1-difluoroethyl)-2,3-dimethyl-7H-cyclohepta[d]imidazole is Cc1nc2c(n1C)=CC=C(C(C)(F)F)CC=2.
What is the InChIKey of 6-(1,1-difluoroethyl)-2,3-dimethyl-7H-cyclohepta[d]imidazole?
The InChIKey is WINZTJYYCPHUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2/c1-8-15-10-6-4-9(12(2,13)14)5-7-11(10)16(8)3/h5-7H,4H2,1-3H3.
What are the key properties of 6-(1,1-difluoroethyl)-2,3-dimethyl-7H-cyclohepta[d]imidazole?
6-(1,1-difluoroethyl)-2,3-dimethyl-7H-cyclohepta[d]imidazole has a molecular weight of 224.25 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-2,3-dimethyl-7H-cyclohepta[d]imidazole is sourced from PubChem (CID 146359471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).