8-(3-fluorocyclohexa-2,4-dien-1-yl)-1-(3-fluorocyclohexen-1-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran

C24H32F2O — CID 167098983

IUPAC8-(3-fluorocyclohexa-2,4-dien-1-yl)-1-(3-fluorocyclohexen-1-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran
SMILESFC1=CC(C2CCC3OC4CCCC(C5=CC(F)CCC5)C4C3C2)CC=C1
InChIInChI=1S/C24H32F2O/c25-18-6-1-4-15(12-18)16-10-11-22-21(14-16)24-20(8-3-9-23(24)27-22)17-5-2-7-19(26)13-17/h1,6,12-13,15-16,19-24H,2-5,7-11,14H2
InChIKeyPGWUKLHXXJYSBO-UHFFFAOYSA-N
MW374.52 g/mol
LogP6.46
Rot. Bonds2

About 8-(3-fluorocyclohexa-2,4-dien-1-yl)-1-(3-fluorocyclohexen-1-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran

8-(3-fluorocyclohexa-2,4-dien-1-yl)-1-(3-fluorocyclohexen-1-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran (PubChem CID 167098983) has the molecular formula C24H32F2O and a molecular weight of 374.52 g/mol. Its IUPAC name is 8-(3-fluorocyclohexa-2,4-dien-1-yl)-1-(3-fluorocyclohexen-1-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran.

Molecular Properties

Compound Name8-(3-fluorocyclohexa-2,4-dien-1-yl)-1-(3-fluorocyclohexen-1-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran
PubChem CID167098983
Molecular FormulaC24H32F2O
Molecular Weight374.52 g/mol
Exact Mass374.24
IUPAC Name8-(3-fluorocyclohexa-2,4-dien-1-yl)-1-(3-fluorocyclohexen-1-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran
SMILESFC1=CC(C2CCC3OC4CCCC(C5=CC(F)CCC5)C4C3C2)CC=C1
InChIInChI=1S/C24H32F2O/c25-18-6-1-4-15(12-18)16-10-11-22-21(14-16)24-20(8-3-9-23(24)27-22)17-5-2-7-19(26)13-17/h1,6,12-13,15-16,19-24H,2-5,7-11,14H2
InChIKeyPGWUKLHXXJYSBO-UHFFFAOYSA-N
XLogP6.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.52
LogP ≤ 56.46
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 8-(3-fluorocyclohexa-2,4-dien-1-yl)-1-(3-fluorocyclohexen-1-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran?
The IUPAC name of 8-(3-fluorocyclohexa-2,4-dien-1-yl)-1-(3-fluorocyclohexen-1-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran (CID 167098983) is 8-(3-fluorocyclohexa-2,4-dien-1-yl)-1-(3-fluorocyclohexen-1-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran.
What is the SMILES notation for 8-(3-fluorocyclohexa-2,4-dien-1-yl)-1-(3-fluorocyclohexen-1-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran?
The canonical SMILES for 8-(3-fluorocyclohexa-2,4-dien-1-yl)-1-(3-fluorocyclohexen-1-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran is FC1=CC(C2CCC3OC4CCCC(C5=CC(F)CCC5)C4C3C2)CC=C1.
What is the InChIKey of 8-(3-fluorocyclohexa-2,4-dien-1-yl)-1-(3-fluorocyclohexen-1-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran?
The InChIKey is PGWUKLHXXJYSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F2O/c25-18-6-1-4-15(12-18)16-10-11-22-21(14-16)24-20(8-3-9-23(24)27-22)17-5-2-7-19(26)13-17/h1,6,12-13,15-16,19-24H,2-5,7-11,14H2.
What are the key properties of 8-(3-fluorocyclohexa-2,4-dien-1-yl)-1-(3-fluorocyclohexen-1-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran?
8-(3-fluorocyclohexa-2,4-dien-1-yl)-1-(3-fluorocyclohexen-1-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran has a molecular weight of 374.52 g/mol, XLogP of 6.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluorocyclohexa-2,4-dien-1-yl)-1-(3-fluorocyclohexen-1-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran is sourced from PubChem (CID 167098983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).