(2Z)-3-(difluoromethoxy)-2-ethenylpenta-2,4-dienal

C8H8F2O2 — CID 177184192

IUPAC(2Z)-3-(difluoromethoxy)-2-ethenylpenta-2,4-dienal
SMILESC=C/C(C=O)=C(\C=C)OC(F)F
InChIInChI=1S/C8H8F2O2/c1-3-6(5-11)7(4-2)12-8(9)10/h3-5,8H,1-2H2/b7-6-
InChIKeyHKQAXPQSEXLWEH-SREVYHEPSA-N
MW174.15 g/mol
LogP2.05
Rot. Bonds5

About (2Z)-3-(difluoromethoxy)-2-ethenylpenta-2,4-dienal

(2Z)-3-(difluoromethoxy)-2-ethenylpenta-2,4-dienal (PubChem CID 177184192) has the molecular formula C8H8F2O2 and a molecular weight of 174.15 g/mol. Its IUPAC name is (2Z)-3-(difluoromethoxy)-2-ethenylpenta-2,4-dienal.

Molecular Properties

Compound Name(2Z)-3-(difluoromethoxy)-2-ethenylpenta-2,4-dienal
PubChem CID177184192
Molecular FormulaC8H8F2O2
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name(2Z)-3-(difluoromethoxy)-2-ethenylpenta-2,4-dienal
SMILESC=C/C(C=O)=C(\C=C)OC(F)F
InChIInChI=1S/C8H8F2O2/c1-3-6(5-11)7(4-2)12-8(9)10/h3-5,8H,1-2H2/b7-6-
InChIKeyHKQAXPQSEXLWEH-SREVYHEPSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

difluoromethyl 2-oxoacetate
CID 175833317
(3E)-3-(difluoromethoxy)penta-1,3-diene
CID 143010384
3-ethenyl-4-fluorohexa-1,3,5-triene
CID 143823986
1-fluoroprop-2-enyl prop-2-enoate
CID 87065178
bis(1-fluoroprop-2-enyl) oxalate
CID 174444690
penta-1,4-dien-3-yl 2-oxoacetate
CID 54056796
1,1,1,3,3-pentafluoropropan-2-yl prop-2-enoate
CID 87389803
ethane;(2Z)-2-ethenyl-3-formyl-N,N-dimethylpenta-2,4-dienamide
CID 145145481
1,2,3-trifluoroprop-2-enyl prop-2-enoate
CID 173408929
1,1,1,3,3,3-hexafluoropropan-2-yl 2-oxoacetate
CID 146341400
3-[(3E)-4-methylhexa-1,3,5-trien-3-yl]oxyhexan-2-one
CID 144994967
fluoroform;formic acid
CID 23325859

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-(difluoromethoxy)-2-ethenylpenta-2,4-dienal?
The IUPAC name of (2Z)-3-(difluoromethoxy)-2-ethenylpenta-2,4-dienal (CID 177184192) is (2Z)-3-(difluoromethoxy)-2-ethenylpenta-2,4-dienal.
What is the SMILES notation for (2Z)-3-(difluoromethoxy)-2-ethenylpenta-2,4-dienal?
The canonical SMILES for (2Z)-3-(difluoromethoxy)-2-ethenylpenta-2,4-dienal is C=C/C(C=O)=C(\C=C)OC(F)F.
What is the InChIKey of (2Z)-3-(difluoromethoxy)-2-ethenylpenta-2,4-dienal?
The InChIKey is HKQAXPQSEXLWEH-SREVYHEPSA-N. The full InChI is InChI=1S/C8H8F2O2/c1-3-6(5-11)7(4-2)12-8(9)10/h3-5,8H,1-2H2/b7-6-.
What are the key properties of (2Z)-3-(difluoromethoxy)-2-ethenylpenta-2,4-dienal?
(2Z)-3-(difluoromethoxy)-2-ethenylpenta-2,4-dienal has a molecular weight of 174.15 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-(difluoromethoxy)-2-ethenylpenta-2,4-dienal is sourced from PubChem (CID 177184192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).