1-[(Z)-2-chloro-1,2-difluoroethenyl]imidazole

C5H3ClF2N2 — CID 119084004

IUPAC1-[(Z)-2-chloro-1,2-difluoroethenyl]imidazole
SMILESF/C(Cl)=C(/F)n1ccnc1
InChIInChI=1S/C5H3ClF2N2/c6-4(7)5(8)10-2-1-9-3-10/h1-3H/b5-4-
InChIKeyOVFWIKSIWTWFTP-PLNGDYQASA-N
MW164.54 g/mol
LogP2.14
Rot. Bonds1

About 1-[(Z)-2-chloro-1,2-difluoroethenyl]imidazole

1-[(Z)-2-chloro-1,2-difluoroethenyl]imidazole (PubChem CID 119084004) has the molecular formula C5H3ClF2N2 and a molecular weight of 164.54 g/mol. Its IUPAC name is 1-[(Z)-2-chloro-1,2-difluoroethenyl]imidazole.

Molecular Properties

Compound Name1-[(Z)-2-chloro-1,2-difluoroethenyl]imidazole
PubChem CID119084004
Molecular FormulaC5H3ClF2N2
Molecular Weight164.54 g/mol
Exact Mass164.00
IUPAC Name1-[(Z)-2-chloro-1,2-difluoroethenyl]imidazole
SMILESF/C(Cl)=C(/F)n1ccnc1
InChIInChI=1S/C5H3ClF2N2/c6-4(7)5(8)10-2-1-9-3-10/h1-3H/b5-4-
InChIKeyOVFWIKSIWTWFTP-PLNGDYQASA-N
XLogP2.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.54
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-fluoroethenyl)imidazole
CID 174960352
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CID 71775166
potassium imidazole-1-carbodithioate
CID 102210808
1-imidazol-1-ylpropane-1,2-dithione
CID 87350552
1,6-di(imidazol-1-yl)hexane-1,6-dione
CID 14413796
imidazole-1-carboximidoyl bromide
CID 89319760
S-methyl imidazole-1-carbothioate
CID 59105486
1,12-di(imidazol-1-yl)dodecane-1,12-dione
CID 14413802
1-imidazol-1-yl-N-methoxy-2,2-dimethylpropan-1-imine
CID 86127768
imidazol-1-yl-[2-(trifluoromethyl)phenyl]methanone
CID 110464340
4,4,4-trifluorobutyl imidazole-1-carboxylate
CID 71419641

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-chloro-1,2-difluoroethenyl]imidazole?
The IUPAC name of 1-[(Z)-2-chloro-1,2-difluoroethenyl]imidazole (CID 119084004) is 1-[(Z)-2-chloro-1,2-difluoroethenyl]imidazole.
What is the SMILES notation for 1-[(Z)-2-chloro-1,2-difluoroethenyl]imidazole?
The canonical SMILES for 1-[(Z)-2-chloro-1,2-difluoroethenyl]imidazole is F/C(Cl)=C(/F)n1ccnc1.
What is the InChIKey of 1-[(Z)-2-chloro-1,2-difluoroethenyl]imidazole?
The InChIKey is OVFWIKSIWTWFTP-PLNGDYQASA-N. The full InChI is InChI=1S/C5H3ClF2N2/c6-4(7)5(8)10-2-1-9-3-10/h1-3H/b5-4-.
What are the key properties of 1-[(Z)-2-chloro-1,2-difluoroethenyl]imidazole?
1-[(Z)-2-chloro-1,2-difluoroethenyl]imidazole has a molecular weight of 164.54 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-chloro-1,2-difluoroethenyl]imidazole is sourced from PubChem (CID 119084004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).