3-fluoro-6-methyl-2-(3-methylidenecyclopentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene

C18H23F — CID 154930682

IUPAC3-fluoro-6-methyl-2-(3-methylidenecyclopentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
SMILESC=C1CCC(c2cc3c(cc2F)CC(C)CCC3)C1
InChIInChI=1S/C18H23F/c1-12-4-3-5-14-10-17(15-7-6-13(2)8-15)18(19)11-16(14)9-12/h10-12,15H,2-9H2,1H3
InChIKeyUHTRIUWRSNHTGJ-UHFFFAOYSA-N
MW258.38 g/mol
LogP5.16
Rot. Bonds1

About 3-fluoro-6-methyl-2-(3-methylidenecyclopentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene

3-fluoro-6-methyl-2-(3-methylidenecyclopentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene (PubChem CID 154930682) has the molecular formula C18H23F and a molecular weight of 258.38 g/mol. Its IUPAC name is 3-fluoro-6-methyl-2-(3-methylidenecyclopentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene.

Molecular Properties

Compound Name3-fluoro-6-methyl-2-(3-methylidenecyclopentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
PubChem CID154930682
Molecular FormulaC18H23F
Molecular Weight258.38 g/mol
Exact Mass258.18
IUPAC Name3-fluoro-6-methyl-2-(3-methylidenecyclopentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
SMILESC=C1CCC(c2cc3c(cc2F)CC(C)CCC3)C1
InChIInChI=1S/C18H23F/c1-12-4-3-5-14-10-17(15-7-6-13(2)8-15)18(19)11-16(14)9-12/h10-12,15H,2-9H2,1H3
InChIKeyUHTRIUWRSNHTGJ-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.38
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 3-fluoro-6-methyl-2-(3-methylidenecyclopentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The IUPAC name of 3-fluoro-6-methyl-2-(3-methylidenecyclopentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene (CID 154930682) is 3-fluoro-6-methyl-2-(3-methylidenecyclopentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene.
What is the SMILES notation for 3-fluoro-6-methyl-2-(3-methylidenecyclopentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The canonical SMILES for 3-fluoro-6-methyl-2-(3-methylidenecyclopentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene is C=C1CCC(c2cc3c(cc2F)CC(C)CCC3)C1.
What is the InChIKey of 3-fluoro-6-methyl-2-(3-methylidenecyclopentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The InChIKey is UHTRIUWRSNHTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F/c1-12-4-3-5-14-10-17(15-7-6-13(2)8-15)18(19)11-16(14)9-12/h10-12,15H,2-9H2,1H3.
What are the key properties of 3-fluoro-6-methyl-2-(3-methylidenecyclopentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
3-fluoro-6-methyl-2-(3-methylidenecyclopentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene has a molecular weight of 258.38 g/mol, XLogP of 5.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-methyl-2-(3-methylidenecyclopentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene is sourced from PubChem (CID 154930682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).