1-(3,3-difluorocyclobutyl)-4,5-dihydroimidazole

C7H10F2N2 — CID 167316525

IUPAC1-(3,3-difluorocyclobutyl)-4,5-dihydroimidazole
SMILESFC1(F)CC(N2C=NCC2)C1
InChIInChI=1S/C7H10F2N2/c8-7(9)3-6(4-7)11-2-1-10-5-11/h5-6H,1-4H2
InChIKeyJKCNSCKEPAIEDM-UHFFFAOYSA-N
MW160.17 g/mol
LogP1.13
Rot. Bonds1

About 1-(3,3-difluorocyclobutyl)-4,5-dihydroimidazole

1-(3,3-difluorocyclobutyl)-4,5-dihydroimidazole (PubChem CID 167316525) has the molecular formula C7H10F2N2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)-4,5-dihydroimidazole
PubChem CID167316525
Molecular FormulaC7H10F2N2
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name1-(3,3-difluorocyclobutyl)-4,5-dihydroimidazole
SMILESFC1(F)CC(N2C=NCC2)C1
InChIInChI=1S/C7H10F2N2/c8-7(9)3-6(4-7)11-2-1-10-5-11/h5-6H,1-4H2
InChIKeyJKCNSCKEPAIEDM-UHFFFAOYSA-N
XLogP1.13
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-4-(trifluoromethyl)-4,5-dihydroimidazole
CID 123358722
1-(2-Fluoroethyl)-4,5-dimethyl-4,5-dihydroimidazole
CID 155110830
1-(Difluoromethyl)-4-(fluoromethyl)-4,5-dihydroimidazole
CID 173378772
4-Ethyl-1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole
CID 173378802
1-(2-Fluoroethyl)-4-(fluoromethyl)-4,5-dihydroimidazole
CID 173378803
1-(Difluoromethyl)-4-ethyl-4,5-dihydroimidazole
CID 173378807
1-(2-Fluoroethyl)-4-methyl-4,5-dihydroimidazole
CID 173378813
4-(Difluoromethyl)-1-methyl-4,5-dihydroimidazole
CID 173378835
1,4-Bis(fluoromethyl)-4,5-dihydroimidazole
CID 173378840
1-(Fluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole
CID 173378873
1-(2,2-Difluoroethyl)-4-(difluoromethyl)-4,5-dihydroimidazole
CID 173378880
1-(Difluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole
CID 173378885

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)-4,5-dihydroimidazole?
The IUPAC name of 1-(3,3-difluorocyclobutyl)-4,5-dihydroimidazole (CID 167316525) is 1-(3,3-difluorocyclobutyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)-4,5-dihydroimidazole?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)-4,5-dihydroimidazole is FC1(F)CC(N2C=NCC2)C1.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)-4,5-dihydroimidazole?
The InChIKey is JKCNSCKEPAIEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2/c8-7(9)3-6(4-7)11-2-1-10-5-11/h5-6H,1-4H2.
What are the key properties of 1-(3,3-difluorocyclobutyl)-4,5-dihydroimidazole?
1-(3,3-difluorocyclobutyl)-4,5-dihydroimidazole has a molecular weight of 160.17 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)-4,5-dihydroimidazole is sourced from PubChem (CID 167316525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).