(3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-one

C8H9FO — CID 142839788

IUPAC(3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-one
SMILESC=C/C=C(\C(=C)F)C(C)=O
InChIInChI=1S/C8H9FO/c1-4-5-8(6(2)9)7(3)10/h4-5H,1-2H2,3H3/b8-5+
InChIKeyZYWPZGJRPHDRKG-VMPITWQZSA-N
MW140.16 g/mol
LogP2.17
Rot. Bonds3

About (3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-one

(3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-one (PubChem CID 142839788) has the molecular formula C8H9FO and a molecular weight of 140.16 g/mol. Its IUPAC name is (3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-one.

Molecular Properties

Compound Name(3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-one
PubChem CID142839788
Molecular FormulaC8H9FO
Molecular Weight140.16 g/mol
Exact Mass140.06
IUPAC Name(3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-one
SMILESC=C/C=C(\C(=C)F)C(C)=O
InChIInChI=1S/C8H9FO/c1-4-5-8(6(2)9)7(3)10/h4-5H,1-2H2,3H3/b8-5+
InChIKeyZYWPZGJRPHDRKG-VMPITWQZSA-N
XLogP2.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-[(E)-1-hydroxyprop-1-enyl]hexa-3,5-dien-2-one
CID 142088410
(3Z)-5-bromo-3-(1-fluoroethenyl)hexa-3,5-dien-2-one
CID 143571697
3-fluorobut-3-en-2-one
CID 158766969
ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene
CID 143773751
(2E,3Z)-3-methyl-2-prop-2-enylidenehexa-3,5-dienoic acid
CID 143334780
(3E,4E)-4-hydroxy-3-propylidenehepta-4,6-dien-2-one
CID 143993556
ethane;[(3Z)-5-methylidene-6-oxohepta-1,3-dien-4-yl]boronic acid
CID 162724442
N-[(3E,5E)-5-acetylocta-1,3,5,7-tetraen-4-yl]-2-aminoacetamide
CID 134534499
(3E,5E)-4,6-difluorohepta-1,3,5-triene
CID 142874217
N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]acetamide
CID 143409642
(3E,5E)-6-methyl-3-prop-1-en-2-ylocta-3,5,7-trien-2-one
CID 88886071
(2Z,3E)-2-ethylidene-3-fluorohexa-3,5-dienoic acid
CID 143656480

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-one?
The IUPAC name of (3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-one (CID 142839788) is (3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-one.
What is the SMILES notation for (3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-one?
The canonical SMILES for (3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-one is C=C/C=C(\C(=C)F)C(C)=O.
What is the InChIKey of (3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-one?
The InChIKey is ZYWPZGJRPHDRKG-VMPITWQZSA-N. The full InChI is InChI=1S/C8H9FO/c1-4-5-8(6(2)9)7(3)10/h4-5H,1-2H2,3H3/b8-5+.
What are the key properties of (3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-one?
(3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-one has a molecular weight of 140.16 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-one is sourced from PubChem (CID 142839788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).