(3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienoyl chloride

C7H5ClF2O — CID 142993979

IUPAC(3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienoyl chloride
SMILESC=C/C(F)=C(/F)C(=C)C(=O)Cl
InChIInChI=1S/C7H5ClF2O/c1-3-5(9)6(10)4(2)7(8)11/h3H,1-2H2/b6-5-
InChIKeyZSBCALZUUVGMSB-WAYWQWQTSA-N
MW178.56 g/mol
LogP2.64
Rot. Bonds3

About (3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienoyl chloride

(3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienoyl chloride (PubChem CID 142993979) has the molecular formula C7H5ClF2O and a molecular weight of 178.56 g/mol. Its IUPAC name is (3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienoyl chloride.

Molecular Properties

Compound Name(3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienoyl chloride
PubChem CID142993979
Molecular FormulaC7H5ClF2O
Molecular Weight178.56 g/mol
Exact Mass178.00
IUPAC Name(3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienoyl chloride
SMILESC=C/C(F)=C(/F)C(=C)C(=O)Cl
InChIInChI=1S/C7H5ClF2O/c1-3-5(9)6(10)4(2)7(8)11/h3H,1-2H2/b6-5-
InChIKeyZSBCALZUUVGMSB-WAYWQWQTSA-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

hypochlorous acid;prop-2-enoyl fluoride
CID 175192518
prop-2-enoyl chloride
CID 23168843
dichloromethane;prop-2-enoyl chloride
CID 146265417
azane;prop-2-enoyl fluoride
CID 175429328
2-fluorobuta-1,3-diene
CID 551655
acetic acid;2-chlorobuta-1,3-diene
CID 87071838
hexakis(carbonofluoridic acid);prop-2-enoic acid
CID 175140796
carbonochloridic acid;prop-2-enoic acid
CID 159375670
3-ethenyl-4-fluorohexa-1,3,5-triene
CID 143823986
dichloromethane;prop-2-enoic acid
CID 87132958
[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]phosphane
CID 155693231
ethene-1,1-diol;prop-2-enamide
CID 174658864

Frequently Asked Questions

What is the IUPAC name of (3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienoyl chloride?
The IUPAC name of (3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienoyl chloride (CID 142993979) is (3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienoyl chloride.
What is the SMILES notation for (3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienoyl chloride?
The canonical SMILES for (3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienoyl chloride is C=C/C(F)=C(/F)C(=C)C(=O)Cl.
What is the InChIKey of (3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienoyl chloride?
The InChIKey is ZSBCALZUUVGMSB-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H5ClF2O/c1-3-5(9)6(10)4(2)7(8)11/h3H,1-2H2/b6-5-.
What are the key properties of (3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienoyl chloride?
(3Z)-3,4-difluoro-2-methylidenehexa-3,5-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 (3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienoyl chloride is sourced from PubChem (CID 142993979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).