9-(1-chloro-1-phenylethyl)-9H-fluorene

C21H17Cl — CID 18987529

IUPAC9-(1-chloro-1-phenylethyl)-9H-fluorene
SMILESCC(Cl)(c1ccccc1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H17Cl/c1-21(22,15-9-3-2-4-10-15)20-18-13-7-5-11-16(18)17-12-6-8-14-19(17)20/h2-14,20H,1H3
InChIKeyZIHCGOGFJZHRLK-UHFFFAOYSA-N
MW304.82 g/mol
LogP5.95
Rot. Bonds2

About 9-(1-chloro-1-phenylethyl)-9H-fluorene

9-(1-chloro-1-phenylethyl)-9H-fluorene (PubChem CID 18987529) has the molecular formula C21H17Cl and a molecular weight of 304.82 g/mol. Its IUPAC name is 9-(1-chloro-1-phenylethyl)-9H-fluorene.

Molecular Properties

Compound Name9-(1-chloro-1-phenylethyl)-9H-fluorene
PubChem CID18987529
Molecular FormulaC21H17Cl
Molecular Weight304.82 g/mol
Exact Mass304.10
IUPAC Name9-(1-chloro-1-phenylethyl)-9H-fluorene
SMILESCC(Cl)(c1ccccc1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H17Cl/c1-21(22,15-9-3-2-4-10-15)20-18-13-7-5-11-16(18)17-12-6-8-14-19(17)20/h2-14,20H,1H3
InChIKeyZIHCGOGFJZHRLK-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.82
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(1-chloro-1-phenylethyl)-9H-fluorene?
The IUPAC name of 9-(1-chloro-1-phenylethyl)-9H-fluorene (CID 18987529) is 9-(1-chloro-1-phenylethyl)-9H-fluorene.
What is the SMILES notation for 9-(1-chloro-1-phenylethyl)-9H-fluorene?
The canonical SMILES for 9-(1-chloro-1-phenylethyl)-9H-fluorene is CC(Cl)(c1ccccc1)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 9-(1-chloro-1-phenylethyl)-9H-fluorene?
The InChIKey is ZIHCGOGFJZHRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl/c1-21(22,15-9-3-2-4-10-15)20-18-13-7-5-11-16(18)17-12-6-8-14-19(17)20/h2-14,20H,1H3.
What are the key properties of 9-(1-chloro-1-phenylethyl)-9H-fluorene?
9-(1-chloro-1-phenylethyl)-9H-fluorene has a molecular weight of 304.82 g/mol, XLogP of 5.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-chloro-1-phenylethyl)-9H-fluorene is sourced from PubChem (CID 18987529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).