2-hexyl-9H-fluorene

C19H22 — CID 2801684

IUPAC2-hexyl-9H-fluorene
SMILESCCCCCCc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C19H22/c1-2-3-4-5-8-15-11-12-19-17(13-15)14-16-9-6-7-10-18(16)19/h6-7,9-13H,2-5,8,14H2,1H3
InChIKeyMVOZMTXVABYQLX-UHFFFAOYSA-N
MW250.38 g/mol
LogP5.38
Rot. Bonds5

About 2-hexyl-9H-fluorene

2-hexyl-9H-fluorene (PubChem CID 2801684) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-hexyl-9H-fluorene.

Molecular Properties

Compound Name2-hexyl-9H-fluorene
PubChem CID2801684
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Name2-hexyl-9H-fluorene
SMILESCCCCCCc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C19H22/c1-2-3-4-5-8-15-11-12-19-17(13-15)14-16-9-6-7-10-18(16)19/h6-7,9-13H,2-5,8,14H2,1H3
InChIKeyMVOZMTXVABYQLX-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.38
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hexyl-9H-fluorene?
The IUPAC name of 2-hexyl-9H-fluorene (CID 2801684) is 2-hexyl-9H-fluorene.
What is the SMILES notation for 2-hexyl-9H-fluorene?
The canonical SMILES for 2-hexyl-9H-fluorene is CCCCCCc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2-hexyl-9H-fluorene?
The InChIKey is MVOZMTXVABYQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22/c1-2-3-4-5-8-15-11-12-19-17(13-15)14-16-9-6-7-10-18(16)19/h6-7,9-13H,2-5,8,14H2,1H3.
What are the key properties of 2-hexyl-9H-fluorene?
2-hexyl-9H-fluorene has a molecular weight of 250.38 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-9H-fluorene is sourced from PubChem (CID 2801684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).