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

C14H15F5O — CID 15651901

IUPAC[(Z)-4-ethoxy-5,5,6,6,6-pentafluorohex-3-enyl]benzene
SMILESCCO/C(=C\CCc1ccccc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H15F5O/c1-2-20-12(13(15,16)14(17,18)19)10-6-9-11-7-4-3-5-8-11/h3-5,7-8,10H,2,6,9H2,1H3/b12-10-
InChIKeyOOKZHKACWANLOL-BENRWUELSA-N
MW294.26 g/mol
LogP4.74
Rot. Bonds6

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

[(Z)-4-ethoxy-5,5,6,6,6-pentafluorohex-3-enyl]benzene (PubChem CID 15651901) has the molecular formula C14H15F5O and a molecular weight of 294.26 g/mol. Its IUPAC name is [(Z)-4-ethoxy-5,5,6,6,6-pentafluorohex-3-enyl]benzene.

Molecular Properties

Compound Name[(Z)-4-ethoxy-5,5,6,6,6-pentafluorohex-3-enyl]benzene
PubChem CID15651901
Molecular FormulaC14H15F5O
Molecular Weight294.26 g/mol
Exact Mass294.10
IUPAC Name[(Z)-4-ethoxy-5,5,6,6,6-pentafluorohex-3-enyl]benzene
SMILESCCO/C(=C\CCc1ccccc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H15F5O/c1-2-20-12(13(15,16)14(17,18)19)10-6-9-11-7-4-3-5-8-11/h3-5,7-8,10H,2,6,9H2,1H3/b12-10-
InChIKeyOOKZHKACWANLOL-BENRWUELSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 54.74
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'}

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Related Compounds

Ethyl styryl ether
CID 5383414
Benzene, (2-methoxyethenyl)-
CID 5368493
(1,1,2,2-Tetrafluoro-butyl)-benzene
CID 10262376
[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
1,1,2,2-Tetrafluoro-1-phenylpropane
CID 23233426
(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)-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-5,5,6,6,6-pentafluorohex-3-enyl]benzene?
The IUPAC name of [(Z)-4-ethoxy-5,5,6,6,6-pentafluorohex-3-enyl]benzene (CID 15651901) is [(Z)-4-ethoxy-5,5,6,6,6-pentafluorohex-3-enyl]benzene.
What is the SMILES notation for [(Z)-4-ethoxy-5,5,6,6,6-pentafluorohex-3-enyl]benzene?
The canonical SMILES for [(Z)-4-ethoxy-5,5,6,6,6-pentafluorohex-3-enyl]benzene is CCO/C(=C\CCc1ccccc1)C(F)(F)C(F)(F)F.
What is the InChIKey of [(Z)-4-ethoxy-5,5,6,6,6-pentafluorohex-3-enyl]benzene?
The InChIKey is OOKZHKACWANLOL-BENRWUELSA-N. The full InChI is InChI=1S/C14H15F5O/c1-2-20-12(13(15,16)14(17,18)19)10-6-9-11-7-4-3-5-8-11/h3-5,7-8,10H,2,6,9H2,1H3/b12-10-.
What are the key properties of [(Z)-4-ethoxy-5,5,6,6,6-pentafluorohex-3-enyl]benzene?
[(Z)-4-ethoxy-5,5,6,6,6-pentafluorohex-3-enyl]benzene has a molecular weight of 294.26 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-ethoxy-5,5,6,6,6-pentafluorohex-3-enyl]benzene is sourced from PubChem (CID 15651901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).