(3,3-difluorocyclobutyl)-(1H-imidazol-2-yl)methanone

C8H8F2N2O — CID 164859105

IUPAC(3,3-difluorocyclobutyl)-(1H-imidazol-2-yl)methanone
SMILESO=C(c1ncc[nH]1)C1CC(F)(F)C1
InChIInChI=1S/C8H8F2N2O/c9-8(10)3-5(4-8)6(13)7-11-1-2-12-7/h1-2,5H,3-4H2,(H,11,12)
InChIKeyQKCMCGNDJLURQR-UHFFFAOYSA-N
MW186.16 g/mol
LogP1.64
Rot. Bonds2

About (3,3-difluorocyclobutyl)-(1H-imidazol-2-yl)methanone

(3,3-difluorocyclobutyl)-(1H-imidazol-2-yl)methanone (PubChem CID 164859105) has the molecular formula C8H8F2N2O and a molecular weight of 186.16 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-(1H-imidazol-2-yl)methanone.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-(1H-imidazol-2-yl)methanone
PubChem CID164859105
Molecular FormulaC8H8F2N2O
Molecular Weight186.16 g/mol
Exact Mass186.06
IUPAC Name(3,3-difluorocyclobutyl)-(1H-imidazol-2-yl)methanone
SMILESO=C(c1ncc[nH]1)C1CC(F)(F)C1
InChIInChI=1S/C8H8F2N2O/c9-8(10)3-5(4-8)6(13)7-11-1-2-12-7/h1-2,5H,3-4H2,(H,11,12)
InChIKeyQKCMCGNDJLURQR-UHFFFAOYSA-N
XLogP1.64
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-(1H-imidazol-2-yl)methanone?
The IUPAC name of (3,3-difluorocyclobutyl)-(1H-imidazol-2-yl)methanone (CID 164859105) is (3,3-difluorocyclobutyl)-(1H-imidazol-2-yl)methanone.
What is the SMILES notation for (3,3-difluorocyclobutyl)-(1H-imidazol-2-yl)methanone?
The canonical SMILES for (3,3-difluorocyclobutyl)-(1H-imidazol-2-yl)methanone is O=C(c1ncc[nH]1)C1CC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclobutyl)-(1H-imidazol-2-yl)methanone?
The InChIKey is QKCMCGNDJLURQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O/c9-8(10)3-5(4-8)6(13)7-11-1-2-12-7/h1-2,5H,3-4H2,(H,11,12).
What are the key properties of (3,3-difluorocyclobutyl)-(1H-imidazol-2-yl)methanone?
(3,3-difluorocyclobutyl)-(1H-imidazol-2-yl)methanone has a molecular weight of 186.16 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-(1H-imidazol-2-yl)methanone is sourced from PubChem (CID 164859105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).