[(Z)-4-ethoxy-5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoroundec-3-enyl]benzene

C19H15F15O — CID 15180602

IUPAC[(Z)-4-ethoxy-5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoroundec-3-enyl]benzene
SMILESCCO/C(=C\CCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H15F15O/c1-2-35-12(10-6-9-11-7-4-3-5-8-11)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)34/h3-5,7-8,10H,2,6,9H2,1H3/b12-10-
InChIKeySHSXHXZCMFRMPG-BENRWUELSA-N
MW544.30 g/mol
LogP7.91
Rot. Bonds11

About [(Z)-4-ethoxy-5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoroundec-3-enyl]benzene

[(Z)-4-ethoxy-5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoroundec-3-enyl]benzene (PubChem CID 15180602) has the molecular formula C19H15F15O and a molecular weight of 544.30 g/mol. Its IUPAC name is [(Z)-4-ethoxy-5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoroundec-3-enyl]benzene.

Molecular Properties

Compound Name[(Z)-4-ethoxy-5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoroundec-3-enyl]benzene
PubChem CID15180602
Molecular FormulaC19H15F15O
Molecular Weight544.30 g/mol
Exact Mass544.09
IUPAC Name[(Z)-4-ethoxy-5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoroundec-3-enyl]benzene
SMILESCCO/C(=C\CCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H15F15O/c1-2-35-12(10-6-9-11-7-4-3-5-8-11)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)34/h3-5,7-8,10H,2,6,9H2,1H3/b12-10-
InChIKeySHSXHXZCMFRMPG-BENRWUELSA-N
XLogP7.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.30
LogP ≤ 57.91
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

Benzene, (2-ethoxyethyl)-
CID 74556
(3-Ethoxypropyl)benzene
CID 79929
1-(Perfluoropropyl)-5-phenylpentanol
CID 25137230
Benzene, (3-propoxypropyl)-
CID 84329
1,1,1,2,2-Pentafluoro-7-phenyl-3-heptanol
CID 25137233
2-(Difluoromethoxy)ethylbenzene
CID 68508698
3-Phenyl-2-methoxypropene
CID 141297
1-Methoxy-3-phenylpropane
CID 576410
1-Methoxy-2-[4-(trifluoromethyl)phenyl]ethene
CID 21459450
2-Fluorophenethyl alcohol, methyl ether
CID 53917697
1-Fluoro-4-(2-methoxyethyl)benzene
CID 57143059
[2-[(2-Methyl-1-undecen-1-yl)oxy]ethyl]benzene
CID 153616877

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-ethoxy-5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoroundec-3-enyl]benzene?
The IUPAC name of [(Z)-4-ethoxy-5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoroundec-3-enyl]benzene (CID 15180602) is [(Z)-4-ethoxy-5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoroundec-3-enyl]benzene.
What is the SMILES notation for [(Z)-4-ethoxy-5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoroundec-3-enyl]benzene?
The canonical SMILES for [(Z)-4-ethoxy-5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoroundec-3-enyl]benzene is CCO/C(=C\CCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of [(Z)-4-ethoxy-5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoroundec-3-enyl]benzene?
The InChIKey is SHSXHXZCMFRMPG-BENRWUELSA-N. The full InChI is InChI=1S/C19H15F15O/c1-2-35-12(10-6-9-11-7-4-3-5-8-11)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)34/h3-5,7-8,10H,2,6,9H2,1H3/b12-10-.
What are the key properties of [(Z)-4-ethoxy-5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoroundec-3-enyl]benzene?
[(Z)-4-ethoxy-5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoroundec-3-enyl]benzene has a molecular weight of 544.30 g/mol, XLogP of 7.91, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-ethoxy-5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoroundec-3-enyl]benzene is sourced from PubChem (CID 15180602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).