[(Z)-4-ethoxy-5,5,6,6,7,7,7-heptafluorohept-3-enyl]benzene

C15H15F7O — CID 15651902

IUPAC[(Z)-4-ethoxy-5,5,6,6,7,7,7-heptafluorohept-3-enyl]benzene
SMILESCCO/C(=C\CCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H15F7O/c1-2-23-12(10-6-9-11-7-4-3-5-8-11)13(16,17)14(18,19)15(20,21)22/h3-5,7-8,10H,2,6,9H2,1H3/b12-10-
InChIKeyQTVJGZYYJQBIGS-BENRWUELSA-N
MW344.27 g/mol
LogP5.37
Rot. Bonds7

About [(Z)-4-ethoxy-5,5,6,6,7,7,7-heptafluorohept-3-enyl]benzene

[(Z)-4-ethoxy-5,5,6,6,7,7,7-heptafluorohept-3-enyl]benzene (PubChem CID 15651902) has the molecular formula C15H15F7O and a molecular weight of 344.27 g/mol. Its IUPAC name is [(Z)-4-ethoxy-5,5,6,6,7,7,7-heptafluorohept-3-enyl]benzene.

Molecular Properties

Compound Name[(Z)-4-ethoxy-5,5,6,6,7,7,7-heptafluorohept-3-enyl]benzene
PubChem CID15651902
Molecular FormulaC15H15F7O
Molecular Weight344.27 g/mol
Exact Mass344.10
IUPAC Name[(Z)-4-ethoxy-5,5,6,6,7,7,7-heptafluorohept-3-enyl]benzene
SMILESCCO/C(=C\CCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H15F7O/c1-2-23-12(10-6-9-11-7-4-3-5-8-11)13(16,17)14(18,19)15(20,21)22/h3-5,7-8,10H,2,6,9H2,1H3/b12-10-
InChIKeyQTVJGZYYJQBIGS-BENRWUELSA-N
XLogP5.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.27
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(Z)-4-ethoxy-5,5,6,6,7,7,7-heptafluorohept-3-enyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl styryl ether
CID 5383414
Benzene, (2-methoxyethenyl)-
CID 5368493
2-(Difluoromethoxy)ethylbenzene
CID 68508698
[1,2-Difluoro-2-(heptafluoropropoxy)ethenyl]benzene
CID 71414201
[(E)-2-Methoxyethenyl]benzene
CID 107588
(E)-beta-Methoxy-alpha-methylstyrene
CID 3034642
1-Methoxy-2-[4-(trifluoromethyl)phenyl]ethene
CID 21459450
(3-Ethoxy-3,3-difluoro-1-propenyl)benzene
CID 5387445
(Z)-(3-Chloro-2-ethoxy-3,3-difluoro-propenyl)-benzene
CID 10889799
(4,4-Difluoro-3-methoxy-but-3-enyl)-benzene
CID 10943449
(Z)-5-ethoxy-4,4-difluoro-6-phenylhex-5-en-3-ol
CID 11097185
[(Z)-4-ethoxy-5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoroundec-3-enyl]benzene
CID 15180602

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-ethoxy-5,5,6,6,7,7,7-heptafluorohept-3-enyl]benzene?
The IUPAC name of [(Z)-4-ethoxy-5,5,6,6,7,7,7-heptafluorohept-3-enyl]benzene (CID 15651902) is [(Z)-4-ethoxy-5,5,6,6,7,7,7-heptafluorohept-3-enyl]benzene.
What is the SMILES notation for [(Z)-4-ethoxy-5,5,6,6,7,7,7-heptafluorohept-3-enyl]benzene?
The canonical SMILES for [(Z)-4-ethoxy-5,5,6,6,7,7,7-heptafluorohept-3-enyl]benzene is CCO/C(=C\CCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of [(Z)-4-ethoxy-5,5,6,6,7,7,7-heptafluorohept-3-enyl]benzene?
The InChIKey is QTVJGZYYJQBIGS-BENRWUELSA-N. The full InChI is InChI=1S/C15H15F7O/c1-2-23-12(10-6-9-11-7-4-3-5-8-11)13(16,17)14(18,19)15(20,21)22/h3-5,7-8,10H,2,6,9H2,1H3/b12-10-.
What are the key properties of [(Z)-4-ethoxy-5,5,6,6,7,7,7-heptafluorohept-3-enyl]benzene?
[(Z)-4-ethoxy-5,5,6,6,7,7,7-heptafluorohept-3-enyl]benzene has a molecular weight of 344.27 g/mol, XLogP of 5.37, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-ethoxy-5,5,6,6,7,7,7-heptafluorohept-3-enyl]benzene is sourced from PubChem (CID 15651902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).