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

C10H13FO — CID 156867717

IUPAC(3Z)-3-(3-fluorobut-3-en-2-ylidene)-2-methylideneoxane
SMILESC=C(F)/C(C)=C1/CCCOC1=C
InChIInChI=1S/C10H13FO/c1-7(8(2)11)10-5-4-6-12-9(10)3/h2-6H2,1H3/b10-7-
InChIKeyGCEFZYOBBXTYOW-YFHOEESVSA-N
MW168.21 g/mol
LogP3.11
Rot. Bonds1

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

(3Z)-3-(3-fluorobut-3-en-2-ylidene)-2-methylideneoxane (PubChem CID 156867717) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is (3Z)-3-(3-fluorobut-3-en-2-ylidene)-2-methylideneoxane.

Molecular Properties

Compound Name(3Z)-3-(3-fluorobut-3-en-2-ylidene)-2-methylideneoxane
PubChem CID156867717
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name(3Z)-3-(3-fluorobut-3-en-2-ylidene)-2-methylideneoxane
SMILESC=C(F)/C(C)=C1/CCCOC1=C
InChIInChI=1S/C10H13FO/c1-7(8(2)11)10-5-4-6-12-9(10)3/h2-6H2,1H3/b10-7-
InChIKeyGCEFZYOBBXTYOW-YFHOEESVSA-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-(3-fluorobut-3-en-2-ylidene)-2-methylideneoxane?
The IUPAC name of (3Z)-3-(3-fluorobut-3-en-2-ylidene)-2-methylideneoxane (CID 156867717) is (3Z)-3-(3-fluorobut-3-en-2-ylidene)-2-methylideneoxane.
What is the SMILES notation for (3Z)-3-(3-fluorobut-3-en-2-ylidene)-2-methylideneoxane?
The canonical SMILES for (3Z)-3-(3-fluorobut-3-en-2-ylidene)-2-methylideneoxane is C=C(F)/C(C)=C1/CCCOC1=C.
What is the InChIKey of (3Z)-3-(3-fluorobut-3-en-2-ylidene)-2-methylideneoxane?
The InChIKey is GCEFZYOBBXTYOW-YFHOEESVSA-N. The full InChI is InChI=1S/C10H13FO/c1-7(8(2)11)10-5-4-6-12-9(10)3/h2-6H2,1H3/b10-7-.
What are the key properties of (3Z)-3-(3-fluorobut-3-en-2-ylidene)-2-methylideneoxane?
(3Z)-3-(3-fluorobut-3-en-2-ylidene)-2-methylideneoxane 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-(3-fluorobut-3-en-2-ylidene)-2-methylideneoxane is sourced from PubChem (CID 156867717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).