4a,9-dihydro-4H-fluorene

C13H12 — CID 123273632

IUPAC4a,9-dihydro-4H-fluorene
SMILESC1=CCC2C(=C1)Cc1ccccc12
InChIInChI=1S/C13H12/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-7,13H,8-9H2
InChIKeyNEMWWCHXGNVLDX-UHFFFAOYSA-N
MW168.24 g/mol
LogP3.21
Rot. Bonds

About 4a,9-dihydro-4H-fluorene

4a,9-dihydro-4H-fluorene (PubChem CID 123273632) has the molecular formula C13H12 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4a,9-dihydro-4H-fluorene.

Molecular Properties

Compound Name4a,9-dihydro-4H-fluorene
PubChem CID123273632
Molecular FormulaC13H12
Molecular Weight168.24 g/mol
Exact Mass168.09
IUPAC Name4a,9-dihydro-4H-fluorene
SMILESC1=CCC2C(=C1)Cc1ccccc12
InChIInChI=1S/C13H12/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-7,13H,8-9H2
InChIKeyNEMWWCHXGNVLDX-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4a,9-dihydro-4H-fluorene?
The IUPAC name of 4a,9-dihydro-4H-fluorene (CID 123273632) is 4a,9-dihydro-4H-fluorene.
What is the SMILES notation for 4a,9-dihydro-4H-fluorene?
The canonical SMILES for 4a,9-dihydro-4H-fluorene is C1=CCC2C(=C1)Cc1ccccc12.
What is the InChIKey of 4a,9-dihydro-4H-fluorene?
The InChIKey is NEMWWCHXGNVLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-7,13H,8-9H2.
What are the key properties of 4a,9-dihydro-4H-fluorene?
4a,9-dihydro-4H-fluorene has a molecular weight of 168.24 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,9-dihydro-4H-fluorene is sourced from PubChem (CID 123273632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).