(3Z)-3-[(E)-2-fluorobut-2-enylidene]-2,2-dimethylfuran

C10H13FO — CID 137417276

IUPAC(3Z)-3-[(E)-2-fluorobut-2-enylidene]-2,2-dimethylfuran
SMILESC/C=C(F)\C=C1\C=COC1(C)C
InChIInChI=1S/C10H13FO/c1-4-9(11)7-8-5-6-12-10(8,2)3/h4-7H,1-3H3/b8-7-,9-4+
InChIKeyGJAINPAIGJACSZ-TZRLODCYSA-N
MW168.21 g/mol
LogP3.11
Rot. Bonds1

About (3Z)-3-[(E)-2-fluorobut-2-enylidene]-2,2-dimethylfuran

(3Z)-3-[(E)-2-fluorobut-2-enylidene]-2,2-dimethylfuran (PubChem CID 137417276) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is (3Z)-3-[(E)-2-fluorobut-2-enylidene]-2,2-dimethylfuran.

Molecular Properties

Compound Name(3Z)-3-[(E)-2-fluorobut-2-enylidene]-2,2-dimethylfuran
PubChem CID137417276
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name(3Z)-3-[(E)-2-fluorobut-2-enylidene]-2,2-dimethylfuran
SMILESC/C=C(F)\C=C1\C=COC1(C)C
InChIInChI=1S/C10H13FO/c1-4-9(11)7-8-5-6-12-10(8,2)3/h4-7H,1-3H3/b8-7-,9-4+
InChIKeyGJAINPAIGJACSZ-TZRLODCYSA-N
XLogP3.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(E)-2-fluorobut-2-enylidene]-2,2-dimethylfuran?
The IUPAC name of (3Z)-3-[(E)-2-fluorobut-2-enylidene]-2,2-dimethylfuran (CID 137417276) is (3Z)-3-[(E)-2-fluorobut-2-enylidene]-2,2-dimethylfuran.
What is the SMILES notation for (3Z)-3-[(E)-2-fluorobut-2-enylidene]-2,2-dimethylfuran?
The canonical SMILES for (3Z)-3-[(E)-2-fluorobut-2-enylidene]-2,2-dimethylfuran is C/C=C(F)\C=C1\C=COC1(C)C.
What is the InChIKey of (3Z)-3-[(E)-2-fluorobut-2-enylidene]-2,2-dimethylfuran?
The InChIKey is GJAINPAIGJACSZ-TZRLODCYSA-N. The full InChI is InChI=1S/C10H13FO/c1-4-9(11)7-8-5-6-12-10(8,2)3/h4-7H,1-3H3/b8-7-,9-4+.
What are the key properties of (3Z)-3-[(E)-2-fluorobut-2-enylidene]-2,2-dimethylfuran?
(3Z)-3-[(E)-2-fluorobut-2-enylidene]-2,2-dimethylfuran has a molecular weight of 168.21 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(E)-2-fluorobut-2-enylidene]-2,2-dimethylfuran is sourced from PubChem (CID 137417276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).