2-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-9,9-dimethylfluorene

C23H18ClF3 — CID 162406460

IUPAC2-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2ccc([C@@H](c3ccc(Cl)cc3)C(F)(F)F)cc21
InChIInChI=1S/C23H18ClF3/c1-22(2)19-6-4-3-5-17(19)18-12-9-15(13-20(18)22)21(23(25,26)27)14-7-10-16(24)11-8-14/h3-13,21H,1-2H3/t21-/m1/s1
InChIKeyDOWUFYMDVRHTIL-OAQYLSRUSA-N
MW386.84 g/mol
LogP7.34
Rot. Bonds2

About 2-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-9,9-dimethylfluorene

2-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-9,9-dimethylfluorene (PubChem CID 162406460) has the molecular formula C23H18ClF3 and a molecular weight of 386.84 g/mol. Its IUPAC name is 2-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-9,9-dimethylfluorene
PubChem CID162406460
Molecular FormulaC23H18ClF3
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name2-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2ccc([C@@H](c3ccc(Cl)cc3)C(F)(F)F)cc21
InChIInChI=1S/C23H18ClF3/c1-22(2)19-6-4-3-5-17(19)18-12-9-15(13-20(18)22)21(23(25,26)27)14-7-10-16(24)11-8-14/h3-13,21H,1-2H3/t21-/m1/s1
InChIKeyDOWUFYMDVRHTIL-OAQYLSRUSA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.84
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-9,9-dimethylfluorene?
The IUPAC name of 2-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-9,9-dimethylfluorene (CID 162406460) is 2-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-9,9-dimethylfluorene.
What is the SMILES notation for 2-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-9,9-dimethylfluorene?
The canonical SMILES for 2-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-9,9-dimethylfluorene is CC1(C)c2ccccc2-c2ccc([C@@H](c3ccc(Cl)cc3)C(F)(F)F)cc21.
What is the InChIKey of 2-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-9,9-dimethylfluorene?
The InChIKey is DOWUFYMDVRHTIL-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H18ClF3/c1-22(2)19-6-4-3-5-17(19)18-12-9-15(13-20(18)22)21(23(25,26)27)14-7-10-16(24)11-8-14/h3-13,21H,1-2H3/t21-/m1/s1.
What are the key properties of 2-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-9,9-dimethylfluorene?
2-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-9,9-dimethylfluorene has a molecular weight of 386.84 g/mol, XLogP of 7.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-9,9-dimethylfluorene is sourced from PubChem (CID 162406460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).