1-[(3,3-difluorocyclopentyl)methyl]imidazole

C9H12F2N2 — CID 126782218

IUPAC1-[(3,3-difluorocyclopentyl)methyl]imidazole
SMILESFC1(F)CCC(Cn2ccnc2)C1
InChIInChI=1S/C9H12F2N2/c10-9(11)2-1-8(5-9)6-13-4-3-12-7-13/h3-4,7-8H,1-2,5-6H2
InChIKeyKQUJJRJFJGAVGP-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.32
Rot. Bonds2

About 1-[(3,3-difluorocyclopentyl)methyl]imidazole

1-[(3,3-difluorocyclopentyl)methyl]imidazole (PubChem CID 126782218) has the molecular formula C9H12F2N2 and a molecular weight of 186.20 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclopentyl)methyl]imidazole.

Molecular Properties

Compound Name1-[(3,3-difluorocyclopentyl)methyl]imidazole
PubChem CID126782218
Molecular FormulaC9H12F2N2
Molecular Weight186.20 g/mol
Exact Mass186.10
IUPAC Name1-[(3,3-difluorocyclopentyl)methyl]imidazole
SMILESFC1(F)CCC(Cn2ccnc2)C1
InChIInChI=1S/C9H12F2N2/c10-9(11)2-1-8(5-9)6-13-4-3-12-7-13/h3-4,7-8H,1-2,5-6H2
InChIKeyKQUJJRJFJGAVGP-UHFFFAOYSA-N
XLogP2.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclopentyl)methyl]imidazole?
The IUPAC name of 1-[(3,3-difluorocyclopentyl)methyl]imidazole (CID 126782218) is 1-[(3,3-difluorocyclopentyl)methyl]imidazole.
What is the SMILES notation for 1-[(3,3-difluorocyclopentyl)methyl]imidazole?
The canonical SMILES for 1-[(3,3-difluorocyclopentyl)methyl]imidazole is FC1(F)CCC(Cn2ccnc2)C1.
What is the InChIKey of 1-[(3,3-difluorocyclopentyl)methyl]imidazole?
The InChIKey is KQUJJRJFJGAVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2/c10-9(11)2-1-8(5-9)6-13-4-3-12-7-13/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 1-[(3,3-difluorocyclopentyl)methyl]imidazole?
1-[(3,3-difluorocyclopentyl)methyl]imidazole has a molecular weight of 186.20 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclopentyl)methyl]imidazole is sourced from PubChem (CID 126782218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).