1-[(2Z,4Z)-2-fluorohepta-2,4-dien-3-yl]oxy-4,6-dimethyl-2,3-dihydro-1H-indene

C18H23FO — CID 135213020

IUPAC1-[(2Z,4Z)-2-fluorohepta-2,4-dien-3-yl]oxy-4,6-dimethyl-2,3-dihydro-1H-indene
SMILESCC/C=C\C(OC1CCc2c(C)cc(C)cc21)=C(/C)F
InChIInChI=1S/C18H23FO/c1-5-6-7-17(14(4)19)20-18-9-8-15-13(3)10-12(2)11-16(15)18/h6-7,10-11,18H,5,8-9H2,1-4H3/b7-6-,17-14-
InChIKeyRPNABUIWOQLGCN-NSPZJROXSA-N
MW274.38 g/mol
LogP5.47
Rot. Bonds4

About 1-[(2Z,4Z)-2-fluorohepta-2,4-dien-3-yl]oxy-4,6-dimethyl-2,3-dihydro-1H-indene

1-[(2Z,4Z)-2-fluorohepta-2,4-dien-3-yl]oxy-4,6-dimethyl-2,3-dihydro-1H-indene (PubChem CID 135213020) has the molecular formula C18H23FO and a molecular weight of 274.38 g/mol. Its IUPAC name is 1-[(2Z,4Z)-2-fluorohepta-2,4-dien-3-yl]oxy-4,6-dimethyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-[(2Z,4Z)-2-fluorohepta-2,4-dien-3-yl]oxy-4,6-dimethyl-2,3-dihydro-1H-indene
PubChem CID135213020
Molecular FormulaC18H23FO
Molecular Weight274.38 g/mol
Exact Mass274.17
IUPAC Name1-[(2Z,4Z)-2-fluorohepta-2,4-dien-3-yl]oxy-4,6-dimethyl-2,3-dihydro-1H-indene
SMILESCC/C=C\C(OC1CCc2c(C)cc(C)cc21)=C(/C)F
InChIInChI=1S/C18H23FO/c1-5-6-7-17(14(4)19)20-18-9-8-15-13(3)10-12(2)11-16(15)18/h6-7,10-11,18H,5,8-9H2,1-4H3/b7-6-,17-14-
InChIKeyRPNABUIWOQLGCN-NSPZJROXSA-N
XLogP5.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.38
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2Z,4Z)-2-fluorohepta-2,4-dien-3-yl]oxy-4,6-dimethyl-2,3-dihydro-1H-indene?
The IUPAC name of 1-[(2Z,4Z)-2-fluorohepta-2,4-dien-3-yl]oxy-4,6-dimethyl-2,3-dihydro-1H-indene (CID 135213020) is 1-[(2Z,4Z)-2-fluorohepta-2,4-dien-3-yl]oxy-4,6-dimethyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-[(2Z,4Z)-2-fluorohepta-2,4-dien-3-yl]oxy-4,6-dimethyl-2,3-dihydro-1H-indene?
The canonical SMILES for 1-[(2Z,4Z)-2-fluorohepta-2,4-dien-3-yl]oxy-4,6-dimethyl-2,3-dihydro-1H-indene is CC/C=C\C(OC1CCc2c(C)cc(C)cc21)=C(/C)F.
What is the InChIKey of 1-[(2Z,4Z)-2-fluorohepta-2,4-dien-3-yl]oxy-4,6-dimethyl-2,3-dihydro-1H-indene?
The InChIKey is RPNABUIWOQLGCN-NSPZJROXSA-N. The full InChI is InChI=1S/C18H23FO/c1-5-6-7-17(14(4)19)20-18-9-8-15-13(3)10-12(2)11-16(15)18/h6-7,10-11,18H,5,8-9H2,1-4H3/b7-6-,17-14-.
What are the key properties of 1-[(2Z,4Z)-2-fluorohepta-2,4-dien-3-yl]oxy-4,6-dimethyl-2,3-dihydro-1H-indene?
1-[(2Z,4Z)-2-fluorohepta-2,4-dien-3-yl]oxy-4,6-dimethyl-2,3-dihydro-1H-indene has a molecular weight of 274.38 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,4Z)-2-fluorohepta-2,4-dien-3-yl]oxy-4,6-dimethyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 135213020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).