2-fluoro-7-methylspiro[fluorene-9,11'-pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene]

C28H27F — CID 143500528

IUPAC2-fluoro-7-methylspiro[fluorene-9,11'-pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene]
SMILESCc1ccc2c(c1)C1(CC3C(C1)C1CC3C3C4C=CC(C4)C13)c1cc(F)ccc1-2
InChIInChI=1S/C28H27F/c1-14-2-6-18-19-7-5-17(29)10-25(19)28(24(18)8-14)12-22-20-11-21(23(22)13-28)27-16-4-3-15(9-16)26(20)27/h2-8,10,15-16,20-23,26-27H,9,11-13H2,1H3
InChIKeyYKEGEANGSWJKBX-UHFFFAOYSA-N
MW382.52 g/mol
LogP6.51
Rot. Bonds

About 2-fluoro-7-methylspiro[fluorene-9,11'-pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene]

2-fluoro-7-methylspiro[fluorene-9,11'-pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene] (PubChem CID 143500528) has the molecular formula C28H27F and a molecular weight of 382.52 g/mol. Its IUPAC name is 2-fluoro-7-methylspiro[fluorene-9,11'-pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene].

Molecular Properties

Compound Name2-fluoro-7-methylspiro[fluorene-9,11'-pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene]
PubChem CID143500528
Molecular FormulaC28H27F
Molecular Weight382.52 g/mol
Exact Mass382.21
IUPAC Name2-fluoro-7-methylspiro[fluorene-9,11'-pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene]
SMILESCc1ccc2c(c1)C1(CC3C(C1)C1CC3C3C4C=CC(C4)C13)c1cc(F)ccc1-2
InChIInChI=1S/C28H27F/c1-14-2-6-18-19-7-5-17(29)10-25(19)28(24(18)8-14)12-22-20-11-21(23(22)13-28)27-16-4-3-15(9-16)26(20)27/h2-8,10,15-16,20-23,26-27H,9,11-13H2,1H3
InChIKeyYKEGEANGSWJKBX-UHFFFAOYSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.52
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-fluoro-7-methylspiro[fluorene-9,11'-pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-7-methylspiro[fluorene-9,11'-pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene]?
The IUPAC name of 2-fluoro-7-methylspiro[fluorene-9,11'-pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene] (CID 143500528) is 2-fluoro-7-methylspiro[fluorene-9,11'-pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene].
What is the SMILES notation for 2-fluoro-7-methylspiro[fluorene-9,11'-pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene]?
The canonical SMILES for 2-fluoro-7-methylspiro[fluorene-9,11'-pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene] is Cc1ccc2c(c1)C1(CC3C(C1)C1CC3C3C4C=CC(C4)C13)c1cc(F)ccc1-2.
What is the InChIKey of 2-fluoro-7-methylspiro[fluorene-9,11'-pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene]?
The InChIKey is YKEGEANGSWJKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F/c1-14-2-6-18-19-7-5-17(29)10-25(19)28(24(18)8-14)12-22-20-11-21(23(22)13-28)27-16-4-3-15(9-16)26(20)27/h2-8,10,15-16,20-23,26-27H,9,11-13H2,1H3.
What are the key properties of 2-fluoro-7-methylspiro[fluorene-9,11'-pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene]?
2-fluoro-7-methylspiro[fluorene-9,11'-pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene] has a molecular weight of 382.52 g/mol, XLogP of 6.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-7-methylspiro[fluorene-9,11'-pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene] is sourced from PubChem (CID 143500528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).