4-chloro-2,9-dimethyl-9-(trifluoromethyl)fluorene

C16H12ClF3 — CID 70902673

IUPAC4-chloro-2,9-dimethyl-9-(trifluoromethyl)fluorene
SMILESCc1cc(Cl)c2c(c1)C(C)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C16H12ClF3/c1-9-7-12-14(13(17)8-9)10-5-3-4-6-11(10)15(12,2)16(18,19)20/h3-8H,1-2H3
InChIKeyBJSCSMBQRCMFHG-UHFFFAOYSA-N
MW296.72 g/mol
LogP5.50
Rot. Bonds

About 4-chloro-2,9-dimethyl-9-(trifluoromethyl)fluorene

4-chloro-2,9-dimethyl-9-(trifluoromethyl)fluorene (PubChem CID 70902673) has the molecular formula C16H12ClF3 and a molecular weight of 296.72 g/mol. Its IUPAC name is 4-chloro-2,9-dimethyl-9-(trifluoromethyl)fluorene.

Molecular Properties

Compound Name4-chloro-2,9-dimethyl-9-(trifluoromethyl)fluorene
PubChem CID70902673
Molecular FormulaC16H12ClF3
Molecular Weight296.72 g/mol
Exact Mass296.06
IUPAC Name4-chloro-2,9-dimethyl-9-(trifluoromethyl)fluorene
SMILESCc1cc(Cl)c2c(c1)C(C)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C16H12ClF3/c1-9-7-12-14(13(17)8-9)10-5-3-4-6-11(10)15(12,2)16(18,19)20/h3-8H,1-2H3
InChIKeyBJSCSMBQRCMFHG-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.72
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,9-dimethyl-9-(trifluoromethyl)fluorene?
The IUPAC name of 4-chloro-2,9-dimethyl-9-(trifluoromethyl)fluorene (CID 70902673) is 4-chloro-2,9-dimethyl-9-(trifluoromethyl)fluorene.
What is the SMILES notation for 4-chloro-2,9-dimethyl-9-(trifluoromethyl)fluorene?
The canonical SMILES for 4-chloro-2,9-dimethyl-9-(trifluoromethyl)fluorene is Cc1cc(Cl)c2c(c1)C(C)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 4-chloro-2,9-dimethyl-9-(trifluoromethyl)fluorene?
The InChIKey is BJSCSMBQRCMFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3/c1-9-7-12-14(13(17)8-9)10-5-3-4-6-11(10)15(12,2)16(18,19)20/h3-8H,1-2H3.
What are the key properties of 4-chloro-2,9-dimethyl-9-(trifluoromethyl)fluorene?
4-chloro-2,9-dimethyl-9-(trifluoromethyl)fluorene has a molecular weight of 296.72 g/mol, XLogP of 5.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,9-dimethyl-9-(trifluoromethyl)fluorene is sourced from PubChem (CID 70902673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).