2-[(4E)-4-[(E)-2-fluorobut-2-enylidene]-5-methylideneimidazol-1-yl]acetonitrile

C10H10FN3 — CID 138535224

IUPAC2-[(4E)-4-[(E)-2-fluorobut-2-enylidene]-5-methylideneimidazol-1-yl]acetonitrile
SMILESC=c1/c(=C\C(F)=C/C)ncn1CC#N
InChIInChI=1S/C10H10FN3/c1-3-9(11)6-10-8(2)14(5-4-12)7-13-10/h3,6-7H,2,5H2,1H3/b9-3+,10-6+
InChIKeyITLACTDWHRWRIE-AERWKNDNSA-N
MW191.21 g/mol
LogP0.47
Rot. Bonds2

About 2-[(4E)-4-[(E)-2-fluorobut-2-enylidene]-5-methylideneimidazol-1-yl]acetonitrile

2-[(4E)-4-[(E)-2-fluorobut-2-enylidene]-5-methylideneimidazol-1-yl]acetonitrile (PubChem CID 138535224) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is 2-[(4E)-4-[(E)-2-fluorobut-2-enylidene]-5-methylideneimidazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[(4E)-4-[(E)-2-fluorobut-2-enylidene]-5-methylideneimidazol-1-yl]acetonitrile
PubChem CID138535224
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Name2-[(4E)-4-[(E)-2-fluorobut-2-enylidene]-5-methylideneimidazol-1-yl]acetonitrile
SMILESC=c1/c(=C\C(F)=C/C)ncn1CC#N
InChIInChI=1S/C10H10FN3/c1-3-9(11)6-10-8(2)14(5-4-12)7-13-10/h3,6-7H,2,5H2,1H3/b9-3+,10-6+
InChIKeyITLACTDWHRWRIE-AERWKNDNSA-N
XLogP0.47
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Ethyl-5-(1-fluoroprop-2-enylidene)-4-methylideneimidazole
CID 124012782
2-[(5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylideneimidazol-1-yl]acetonitrile
CID 134239602
N-[(Z,4E)-4-(2,3-dimethyl-4H-imidazol-5-ylidene)-1,1,1-trifluorobut-2-en-2-yl]methanimine
CID 137468195
(5E)-5-[(2E)-2-fluoropenta-2,4-dienylidene]-4H-imidazole-3-carbonitrile
CID 138535077
(5E)-5-[(E)-2-fluoropent-2-enylidene]-1-propan-2-yl-4H-imidazole
CID 138535079
N-[3-(5-ethylidene-3-methylimidazol-4-ylidene)prop-1-en-2-yl]-N-methylbut-2-en-2-amine
CID 123218601
1-Ethyl-4-methylidene-5-prop-2-enylideneimidazole
CID 123739949
(4E,5E)-4,5-di(ethylidene)-1-methylimidazole
CID 130427202
(4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)imidazole
CID 130427315
(5E)-1-methyl-4-methylidene-5-prop-2-enylideneimidazole
CID 141977984
1-[(3E)-hexa-1,3,5-trien-3-yl]-4,5-dihydroimidazole
CID 142936856
(4E,5E)-4-ethylidene-1-methyl-5-prop-2-enylideneimidazole
CID 143453290

Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-4-[(E)-2-fluorobut-2-enylidene]-5-methylideneimidazol-1-yl]acetonitrile?
The IUPAC name of 2-[(4E)-4-[(E)-2-fluorobut-2-enylidene]-5-methylideneimidazol-1-yl]acetonitrile (CID 138535224) is 2-[(4E)-4-[(E)-2-fluorobut-2-enylidene]-5-methylideneimidazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[(4E)-4-[(E)-2-fluorobut-2-enylidene]-5-methylideneimidazol-1-yl]acetonitrile?
The canonical SMILES for 2-[(4E)-4-[(E)-2-fluorobut-2-enylidene]-5-methylideneimidazol-1-yl]acetonitrile is C=c1/c(=C\C(F)=C/C)ncn1CC#N.
What is the InChIKey of 2-[(4E)-4-[(E)-2-fluorobut-2-enylidene]-5-methylideneimidazol-1-yl]acetonitrile?
The InChIKey is ITLACTDWHRWRIE-AERWKNDNSA-N. The full InChI is InChI=1S/C10H10FN3/c1-3-9(11)6-10-8(2)14(5-4-12)7-13-10/h3,6-7H,2,5H2,1H3/b9-3+,10-6+.
What are the key properties of 2-[(4E)-4-[(E)-2-fluorobut-2-enylidene]-5-methylideneimidazol-1-yl]acetonitrile?
2-[(4E)-4-[(E)-2-fluorobut-2-enylidene]-5-methylideneimidazol-1-yl]acetonitrile has a molecular weight of 191.21 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-4-[(E)-2-fluorobut-2-enylidene]-5-methylideneimidazol-1-yl]acetonitrile is sourced from PubChem (CID 138535224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).