(1Z,4Z)-8-(6-fluorocyclohepta-2,4-dien-1-yl)oxy-2-methylcycloocta-1,4-diene

C16H21FO — CID 146578763

IUPAC(1Z,4Z)-8-(6-fluorocyclohepta-2,4-dien-1-yl)oxy-2-methylcycloocta-1,4-diene
SMILESC/C1=C/C(OC2C=CC=CC(F)C2)CC/C=C\C1
InChIInChI=1S/C16H21FO/c1-13-7-3-2-4-9-15(11-13)18-16-10-6-5-8-14(17)12-16/h2-3,5-6,8,10-11,14-16H,4,7,9,12H2,1H3/b3-2-,13-11-
InChIKeyLQTYPWNCVFGOFY-JEFHYFCISA-N
MW248.34 g/mol
LogP4.28
Rot. Bonds2

About (1Z,4Z)-8-(6-fluorocyclohepta-2,4-dien-1-yl)oxy-2-methylcycloocta-1,4-diene

(1Z,4Z)-8-(6-fluorocyclohepta-2,4-dien-1-yl)oxy-2-methylcycloocta-1,4-diene (PubChem CID 146578763) has the molecular formula C16H21FO and a molecular weight of 248.34 g/mol. Its IUPAC name is (1Z,4Z)-8-(6-fluorocyclohepta-2,4-dien-1-yl)oxy-2-methylcycloocta-1,4-diene.

Molecular Properties

Compound Name(1Z,4Z)-8-(6-fluorocyclohepta-2,4-dien-1-yl)oxy-2-methylcycloocta-1,4-diene
PubChem CID146578763
Molecular FormulaC16H21FO
Molecular Weight248.34 g/mol
Exact Mass248.16
IUPAC Name(1Z,4Z)-8-(6-fluorocyclohepta-2,4-dien-1-yl)oxy-2-methylcycloocta-1,4-diene
SMILESC/C1=C/C(OC2C=CC=CC(F)C2)CC/C=C\C1
InChIInChI=1S/C16H21FO/c1-13-7-3-2-4-9-15(11-13)18-16-10-6-5-8-14(17)12-16/h2-3,5-6,8,10-11,14-16H,4,7,9,12H2,1H3/b3-2-,13-11-
InChIKeyLQTYPWNCVFGOFY-JEFHYFCISA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,4Z)-8-(6-fluorocyclohepta-2,4-dien-1-yl)oxy-2-methylcycloocta-1,4-diene?
The IUPAC name of (1Z,4Z)-8-(6-fluorocyclohepta-2,4-dien-1-yl)oxy-2-methylcycloocta-1,4-diene (CID 146578763) is (1Z,4Z)-8-(6-fluorocyclohepta-2,4-dien-1-yl)oxy-2-methylcycloocta-1,4-diene.
What is the SMILES notation for (1Z,4Z)-8-(6-fluorocyclohepta-2,4-dien-1-yl)oxy-2-methylcycloocta-1,4-diene?
The canonical SMILES for (1Z,4Z)-8-(6-fluorocyclohepta-2,4-dien-1-yl)oxy-2-methylcycloocta-1,4-diene is C/C1=C/C(OC2C=CC=CC(F)C2)CC/C=C\C1.
What is the InChIKey of (1Z,4Z)-8-(6-fluorocyclohepta-2,4-dien-1-yl)oxy-2-methylcycloocta-1,4-diene?
The InChIKey is LQTYPWNCVFGOFY-JEFHYFCISA-N. The full InChI is InChI=1S/C16H21FO/c1-13-7-3-2-4-9-15(11-13)18-16-10-6-5-8-14(17)12-16/h2-3,5-6,8,10-11,14-16H,4,7,9,12H2,1H3/b3-2-,13-11-.
What are the key properties of (1Z,4Z)-8-(6-fluorocyclohepta-2,4-dien-1-yl)oxy-2-methylcycloocta-1,4-diene?
(1Z,4Z)-8-(6-fluorocyclohepta-2,4-dien-1-yl)oxy-2-methylcycloocta-1,4-diene has a molecular weight of 248.34 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4Z)-8-(6-fluorocyclohepta-2,4-dien-1-yl)oxy-2-methylcycloocta-1,4-diene is sourced from PubChem (CID 146578763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).