(2E)-2-[(Z)-1,2-difluoroethenyl]penta-2,4-dienoyl chloride

C7H5ClF2O — CID 142265402

IUPAC(2E)-2-[(Z)-1,2-difluoroethenyl]penta-2,4-dienoyl chloride
SMILESC=C/C=C(C(=O)Cl)\C(F)=C\F
InChIInChI=1S/C7H5ClF2O/c1-2-3-5(7(8)11)6(10)4-9/h2-4H,1H2/b5-3+,6-4-
InChIKeyAUIIAGNMBXTYRJ-UZNMPDEFSA-N
MW178.56 g/mol
LogP2.64
Rot. Bonds3

About (2E)-2-[(Z)-1,2-difluoroethenyl]penta-2,4-dienoyl chloride

(2E)-2-[(Z)-1,2-difluoroethenyl]penta-2,4-dienoyl chloride (PubChem CID 142265402) has the molecular formula C7H5ClF2O and a molecular weight of 178.56 g/mol. Its IUPAC name is (2E)-2-[(Z)-1,2-difluoroethenyl]penta-2,4-dienoyl chloride.

Molecular Properties

Compound Name(2E)-2-[(Z)-1,2-difluoroethenyl]penta-2,4-dienoyl chloride
PubChem CID142265402
Molecular FormulaC7H5ClF2O
Molecular Weight178.56 g/mol
Exact Mass178.00
IUPAC Name(2E)-2-[(Z)-1,2-difluoroethenyl]penta-2,4-dienoyl chloride
SMILESC=C/C=C(C(=O)Cl)\C(F)=C\F
InChIInChI=1S/C7H5ClF2O/c1-2-3-5(7(8)11)6(10)4-9/h2-4H,1H2/b5-3+,6-4-
InChIKeyAUIIAGNMBXTYRJ-UZNMPDEFSA-N
XLogP2.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.56
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-one
CID 142839788
hypochlorous acid;prop-2-enoyl fluoride
CID 175192518
(2Z,3E)-2-ethylidene-3-fluorohexa-3,5-dienoic acid
CID 143656480
3-chloro-2-fluorohexa-1,3,5-triene
CID 123589039
(3E)-3-fluoro-2-methylidenehexa-3,5-dienal
CID 142607987
(2E)-2-[(E)-1-hydroxyprop-1-enyl]penta-2,4-dienoic acid
CID 143334790
(2E,3Z)-3-methyl-2-prop-2-enylidenehexa-3,5-dienoic acid
CID 143334780
(3E,4E)-4-amino-1-chloro-3-prop-2-enylidenehepta-4,6-dien-2-one
CID 135141230
1-chloro-1-methylselanylbuta-1,3-diene
CID 71382576
prop-2-enoyl chloride
CID 23168843
(1Z)-1-chloro-1-iodobuta-1,3-diene
CID 87933089
(4Z)-4-ethenylhepta-4,6-dienoyl chloride
CID 143083142

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-1,2-difluoroethenyl]penta-2,4-dienoyl chloride?
The IUPAC name of (2E)-2-[(Z)-1,2-difluoroethenyl]penta-2,4-dienoyl chloride (CID 142265402) is (2E)-2-[(Z)-1,2-difluoroethenyl]penta-2,4-dienoyl chloride.
What is the SMILES notation for (2E)-2-[(Z)-1,2-difluoroethenyl]penta-2,4-dienoyl chloride?
The canonical SMILES for (2E)-2-[(Z)-1,2-difluoroethenyl]penta-2,4-dienoyl chloride is C=C/C=C(C(=O)Cl)\C(F)=C\F.
What is the InChIKey of (2E)-2-[(Z)-1,2-difluoroethenyl]penta-2,4-dienoyl chloride?
The InChIKey is AUIIAGNMBXTYRJ-UZNMPDEFSA-N. The full InChI is InChI=1S/C7H5ClF2O/c1-2-3-5(7(8)11)6(10)4-9/h2-4H,1H2/b5-3+,6-4-.
What are the key properties of (2E)-2-[(Z)-1,2-difluoroethenyl]penta-2,4-dienoyl chloride?
(2E)-2-[(Z)-1,2-difluoroethenyl]penta-2,4-dienoyl chloride has a molecular weight of 178.56 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-1,2-difluoroethenyl]penta-2,4-dienoyl chloride is sourced from PubChem (CID 142265402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).