2,2-difluoro-1-(1-propylimidazol-2-yl)ethanone

C8H10F2N2O — CID 112574278

IUPAC2,2-difluoro-1-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1C(=O)C(F)F
InChIInChI=1S/C8H10F2N2O/c1-2-4-12-5-3-11-8(12)6(13)7(9)10/h3,5,7H,2,4H2,1H3
InChIKeyBOPXGXADSFIOQR-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.74
Rot. Bonds4

About 2,2-difluoro-1-(1-propylimidazol-2-yl)ethanone

2,2-difluoro-1-(1-propylimidazol-2-yl)ethanone (PubChem CID 112574278) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 2,2-difluoro-1-(1-propylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(1-propylimidazol-2-yl)ethanone
PubChem CID112574278
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name2,2-difluoro-1-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1C(=O)C(F)F
InChIInChI=1S/C8H10F2N2O/c1-2-4-12-5-3-11-8(12)6(13)7(9)10/h3,5,7H,2,4H2,1H3
InChIKeyBOPXGXADSFIOQR-UHFFFAOYSA-N
XLogP1.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4-methyl-1-(1-propylimidazol-2-yl)pentan-1-one
CID 116598013
1-(1-propylimidazol-2-yl)pentan-1-one
CID 79404906
3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-one
CID 105100693
2-methoxy-1-(1-propylimidazol-2-yl)ethanone
CID 63977312
2-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-1-one
CID 116593833
(2,6-dimethylphenyl)-(1-propylimidazol-2-yl)methanone
CID 114026338
(2,6-dichlorophenyl)-(1-propylimidazol-2-yl)methanone
CID 61316276
1-(1-propylimidazol-2-yl)heptan-1-one
CID 114972716
(E)-2-ethyl-1-(1-propylimidazol-2-yl)but-2-en-1-one
CID 103447433
(E)-1-(1-propylimidazol-2-yl)pent-2-en-1-one
CID 103454256
1-(1-propylimidazol-2-yl)-2-propylsulfanylethanone
CID 65129636
4-hydroxy-1-(1-propylimidazol-2-yl)butan-1-one
CID 106677480

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(1-propylimidazol-2-yl)ethanone?
The IUPAC name of 2,2-difluoro-1-(1-propylimidazol-2-yl)ethanone (CID 112574278) is 2,2-difluoro-1-(1-propylimidazol-2-yl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(1-propylimidazol-2-yl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(1-propylimidazol-2-yl)ethanone is CCCn1ccnc1C(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-1-(1-propylimidazol-2-yl)ethanone?
The InChIKey is BOPXGXADSFIOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-2-4-12-5-3-11-8(12)6(13)7(9)10/h3,5,7H,2,4H2,1H3.
What are the key properties of 2,2-difluoro-1-(1-propylimidazol-2-yl)ethanone?
2,2-difluoro-1-(1-propylimidazol-2-yl)ethanone has a molecular weight of 188.18 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(1-propylimidazol-2-yl)ethanone is sourced from PubChem (CID 112574278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).