1-(3-fluoroprop-2-enyl)imidazole

C6H7FN2 — CID 175465451

IUPAC1-(3-fluoroprop-2-enyl)imidazole
SMILESFC=CCn1ccnc1
InChIInChI=1S/C6H7FN2/c7-2-1-4-9-5-3-8-6-9/h1-3,5-6H,4H2
InChIKeyDXJJCPIIHRSJQV-UHFFFAOYSA-N
MW126.13 g/mol
LogP1.37
Rot. Bonds2

About 1-(3-fluoroprop-2-enyl)imidazole

1-(3-fluoroprop-2-enyl)imidazole (PubChem CID 175465451) has the molecular formula C6H7FN2 and a molecular weight of 126.13 g/mol. Its IUPAC name is 1-(3-fluoroprop-2-enyl)imidazole.

Molecular Properties

Compound Name1-(3-fluoroprop-2-enyl)imidazole
PubChem CID175465451
Molecular FormulaC6H7FN2
Molecular Weight126.13 g/mol
Exact Mass126.06
IUPAC Name1-(3-fluoroprop-2-enyl)imidazole
SMILESFC=CCn1ccnc1
InChIInChI=1S/C6H7FN2/c7-2-1-4-9-5-3-8-6-9/h1-3,5-6H,4H2
InChIKeyDXJJCPIIHRSJQV-UHFFFAOYSA-N
XLogP1.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(Z)-but-2-enyl]imidazole
CID 45087139
phosphane;1-prop-2-enylimidazole
CID 174916196
1-(3-phenylprop-2-enyl)imidazole;hydrochloride
CID 174925347
1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole
CID 56648448
1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]imidazole
CID 58624286
1-(2,2,2-trifluoroethyl)imidazole
CID 13288518
(E)-4-imidazol-1-yl-N-propan-2-ylbut-2-enamide;molecular hydrogen
CID 144833032
1-[(E)-3-(4-fluoro-1-benzothiophen-2-yl)prop-2-enyl]imidazole
CID 165350539
2-[(E)-3-imidazol-1-ylprop-1-enyl]quinoline
CID 18467017
copper;1-ethylimidazole
CID 118057388
1-ethylimidazole;hydroiodide
CID 66751695
1-[3-imidazol-1-yl-2,2-bis(imidazol-1-ylmethyl)propyl]imidazole;pentahydrate
CID 139144958

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoroprop-2-enyl)imidazole?
The IUPAC name of 1-(3-fluoroprop-2-enyl)imidazole (CID 175465451) is 1-(3-fluoroprop-2-enyl)imidazole.
What is the SMILES notation for 1-(3-fluoroprop-2-enyl)imidazole?
The canonical SMILES for 1-(3-fluoroprop-2-enyl)imidazole is FC=CCn1ccnc1.
What is the InChIKey of 1-(3-fluoroprop-2-enyl)imidazole?
The InChIKey is DXJJCPIIHRSJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2/c7-2-1-4-9-5-3-8-6-9/h1-3,5-6H,4H2.
What are the key properties of 1-(3-fluoroprop-2-enyl)imidazole?
1-(3-fluoroprop-2-enyl)imidazole has a molecular weight of 126.13 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoroprop-2-enyl)imidazole is sourced from PubChem (CID 175465451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).