(1-ethoxy-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)benzene

C15H11F13O — CID 132503955

IUPAC(1-ethoxy-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)benzene
SMILESCCOC(c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H11F13O/c1-2-29-9(8-6-4-3-5-7-8)10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h3-7,9H,2H2,1H3
InChIKeyHSNGBXNXEAQTSJ-UHFFFAOYSA-N
MW454.23 g/mol
LogP6.50
Rot. Bonds8

About (1-ethoxy-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)benzene

(1-ethoxy-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)benzene (PubChem CID 132503955) has the molecular formula C15H11F13O and a molecular weight of 454.23 g/mol. Its IUPAC name is (1-ethoxy-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)benzene.

Molecular Properties

Compound Name(1-ethoxy-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)benzene
PubChem CID132503955
Molecular FormulaC15H11F13O
Molecular Weight454.23 g/mol
Exact Mass454.06
IUPAC Name(1-ethoxy-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)benzene
SMILESCCOC(c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H11F13O/c1-2-29-9(8-6-4-3-5-7-8)10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h3-7,9H,2H2,1H3
InChIKeyHSNGBXNXEAQTSJ-UHFFFAOYSA-N
XLogP6.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.23
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze (1-ethoxy-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)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

10,10-diethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluorodecane
CID 57224801
4,4,5,5,6,6,6-heptafluorohexan-3-ylbenzene
CID 174807736
bis[(1R)-2,2,3,3,4,4,5,5,5-nonafluoro-1-phenylpentyl] phenyl phosphate
CID 99683434
triethyl-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecoxy(phenyl)methyl]azanium
CID 87836194
(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-iodooctyl)benzene
CID 132820969
(1R)-2,2-diethoxy-1-phenylethanol
CID 24856463
2-phenylpropyl-tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannane
CID 11815207
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[(1R)-1-phenylethyl]octan-1-amine
CID 10885632
(2,2,2-trifluoro-1-methoxyethyl)benzene
CID 15275027
2-ethoxy-1,2-diphenylethanol
CID 3767197
(1-tert-butylperoxy-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)benzene
CID 175043636
(1-tert-butylperoxy-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecyl)benzene
CID 175044031

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)benzene?
The IUPAC name of (1-ethoxy-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)benzene (CID 132503955) is (1-ethoxy-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)benzene.
What is the SMILES notation for (1-ethoxy-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)benzene?
The canonical SMILES for (1-ethoxy-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)benzene is CCOC(c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (1-ethoxy-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)benzene?
The InChIKey is HSNGBXNXEAQTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F13O/c1-2-29-9(8-6-4-3-5-7-8)10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h3-7,9H,2H2,1H3.
What are the key properties of (1-ethoxy-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)benzene?
(1-ethoxy-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)benzene has a molecular weight of 454.23 g/mol, XLogP of 6.50, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)benzene is sourced from PubChem (CID 132503955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).