(3Z)-3-(3-fluorobut-3-en-2-ylidene)-2-methylideneoxolane

C9H11FO — CID 156867954

IUPAC(3Z)-3-(3-fluorobut-3-en-2-ylidene)-2-methylideneoxolane
SMILESC=C(F)/C(C)=C1/CCOC1=C
InChIInChI=1S/C9H11FO/c1-6(7(2)10)9-4-5-11-8(9)3/h2-5H2,1H3/b9-6-
InChIKeyCXMOQZGJOJNHPJ-TWGQIWQCSA-N
MW154.18 g/mol
LogP2.72
Rot. Bonds1

About (3Z)-3-(3-fluorobut-3-en-2-ylidene)-2-methylideneoxolane

(3Z)-3-(3-fluorobut-3-en-2-ylidene)-2-methylideneoxolane (PubChem CID 156867954) has the molecular formula C9H11FO and a molecular weight of 154.18 g/mol. Its IUPAC name is (3Z)-3-(3-fluorobut-3-en-2-ylidene)-2-methylideneoxolane.

Molecular Properties

Compound Name(3Z)-3-(3-fluorobut-3-en-2-ylidene)-2-methylideneoxolane
PubChem CID156867954
Molecular FormulaC9H11FO
Molecular Weight154.18 g/mol
Exact Mass154.08
IUPAC Name(3Z)-3-(3-fluorobut-3-en-2-ylidene)-2-methylideneoxolane
SMILESC=C(F)/C(C)=C1/CCOC1=C
InChIInChI=1S/C9H11FO/c1-6(7(2)10)9-4-5-11-8(9)3/h2-5H2,1H3/b9-6-
InChIKeyCXMOQZGJOJNHPJ-TWGQIWQCSA-N
XLogP2.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(3-fluorobut-3-en-2-ylidene)-2-methylideneoxolane?
The IUPAC name of (3Z)-3-(3-fluorobut-3-en-2-ylidene)-2-methylideneoxolane (CID 156867954) is (3Z)-3-(3-fluorobut-3-en-2-ylidene)-2-methylideneoxolane.
What is the SMILES notation for (3Z)-3-(3-fluorobut-3-en-2-ylidene)-2-methylideneoxolane?
The canonical SMILES for (3Z)-3-(3-fluorobut-3-en-2-ylidene)-2-methylideneoxolane is C=C(F)/C(C)=C1/CCOC1=C.
What is the InChIKey of (3Z)-3-(3-fluorobut-3-en-2-ylidene)-2-methylideneoxolane?
The InChIKey is CXMOQZGJOJNHPJ-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H11FO/c1-6(7(2)10)9-4-5-11-8(9)3/h2-5H2,1H3/b9-6-.
What are the key properties of (3Z)-3-(3-fluorobut-3-en-2-ylidene)-2-methylideneoxolane?
(3Z)-3-(3-fluorobut-3-en-2-ylidene)-2-methylideneoxolane has a molecular weight of 154.18 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(3-fluorobut-3-en-2-ylidene)-2-methylideneoxolane is sourced from PubChem (CID 156867954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).