4-chloro-2-hexyl-9-(trifluoromethyl)-9H-fluorene

C20H20ClF3 — CID 134268969

IUPAC4-chloro-2-hexyl-9-(trifluoromethyl)-9H-fluorene
SMILESCCCCCCc1cc(Cl)c2c(c1)C(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C20H20ClF3/c1-2-3-4-5-8-13-11-16-18(17(21)12-13)14-9-6-7-10-15(14)19(16)20(22,23)24/h6-7,9-12,19H,2-5,8H2,1H3
InChIKeyBVXXUNVGGUMHJU-UHFFFAOYSA-N
MW352.83 g/mol
LogP7.14
Rot. Bonds5

About 4-chloro-2-hexyl-9-(trifluoromethyl)-9H-fluorene

4-chloro-2-hexyl-9-(trifluoromethyl)-9H-fluorene (PubChem CID 134268969) has the molecular formula C20H20ClF3 and a molecular weight of 352.83 g/mol. Its IUPAC name is 4-chloro-2-hexyl-9-(trifluoromethyl)-9H-fluorene.

Molecular Properties

Compound Name4-chloro-2-hexyl-9-(trifluoromethyl)-9H-fluorene
PubChem CID134268969
Molecular FormulaC20H20ClF3
Molecular Weight352.83 g/mol
Exact Mass352.12
IUPAC Name4-chloro-2-hexyl-9-(trifluoromethyl)-9H-fluorene
SMILESCCCCCCc1cc(Cl)c2c(c1)C(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C20H20ClF3/c1-2-3-4-5-8-13-11-16-18(17(21)12-13)14-9-6-7-10-15(14)19(16)20(22,23)24/h6-7,9-12,19H,2-5,8H2,1H3
InChIKeyBVXXUNVGGUMHJU-UHFFFAOYSA-N
XLogP7.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.83
LogP ≤ 57.14
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 4-chloro-2-hexyl-9-(trifluoromethyl)-9H-fluorene?
The IUPAC name of 4-chloro-2-hexyl-9-(trifluoromethyl)-9H-fluorene (CID 134268969) is 4-chloro-2-hexyl-9-(trifluoromethyl)-9H-fluorene.
What is the SMILES notation for 4-chloro-2-hexyl-9-(trifluoromethyl)-9H-fluorene?
The canonical SMILES for 4-chloro-2-hexyl-9-(trifluoromethyl)-9H-fluorene is CCCCCCc1cc(Cl)c2c(c1)C(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 4-chloro-2-hexyl-9-(trifluoromethyl)-9H-fluorene?
The InChIKey is BVXXUNVGGUMHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF3/c1-2-3-4-5-8-13-11-16-18(17(21)12-13)14-9-6-7-10-15(14)19(16)20(22,23)24/h6-7,9-12,19H,2-5,8H2,1H3.
What are the key properties of 4-chloro-2-hexyl-9-(trifluoromethyl)-9H-fluorene?
4-chloro-2-hexyl-9-(trifluoromethyl)-9H-fluorene has a molecular weight of 352.83 g/mol, XLogP of 7.14, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hexyl-9-(trifluoromethyl)-9H-fluorene is sourced from PubChem (CID 134268969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).