[1-(9H-fluoren-2-yl)cyclopentyl] 2-methyl-2-(trifluoromethyl)butanoate

C24H25F3O2 — CID 59331075

IUPAC[1-(9H-fluoren-2-yl)cyclopentyl] 2-methyl-2-(trifluoromethyl)butanoate
SMILESCCC(C)(C(=O)OC1(c2ccc3c(c2)Cc2ccccc2-3)CCCC1)C(F)(F)F
InChIInChI=1S/C24H25F3O2/c1-3-22(2,24(25,26)27)21(28)29-23(12-6-7-13-23)18-10-11-20-17(15-18)14-16-8-4-5-9-19(16)20/h4-5,8-11,15H,3,6-7,12-14H2,1-2H3
InChIKeyPIVJKEMOIOITFV-UHFFFAOYSA-N
MW402.46 g/mol
LogP6.55
Rot. Bonds4

About [1-(9H-fluoren-2-yl)cyclopentyl] 2-methyl-2-(trifluoromethyl)butanoate

[1-(9H-fluoren-2-yl)cyclopentyl] 2-methyl-2-(trifluoromethyl)butanoate (PubChem CID 59331075) has the molecular formula C24H25F3O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is [1-(9H-fluoren-2-yl)cyclopentyl] 2-methyl-2-(trifluoromethyl)butanoate.

Molecular Properties

Compound Name[1-(9H-fluoren-2-yl)cyclopentyl] 2-methyl-2-(trifluoromethyl)butanoate
PubChem CID59331075
Molecular FormulaC24H25F3O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name[1-(9H-fluoren-2-yl)cyclopentyl] 2-methyl-2-(trifluoromethyl)butanoate
SMILESCCC(C)(C(=O)OC1(c2ccc3c(c2)Cc2ccccc2-3)CCCC1)C(F)(F)F
InChIInChI=1S/C24H25F3O2/c1-3-22(2,24(25,26)27)21(28)29-23(12-6-7-13-23)18-10-11-20-17(15-18)14-16-8-4-5-9-19(16)20/h4-5,8-11,15H,3,6-7,12-14H2,1-2H3
InChIKeyPIVJKEMOIOITFV-UHFFFAOYSA-N
XLogP6.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.46
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(9H-fluoren-2-yl)cyclopentyl] 2-methyl-2-(trifluoromethyl)butanoate?
The IUPAC name of [1-(9H-fluoren-2-yl)cyclopentyl] 2-methyl-2-(trifluoromethyl)butanoate (CID 59331075) is [1-(9H-fluoren-2-yl)cyclopentyl] 2-methyl-2-(trifluoromethyl)butanoate.
What is the SMILES notation for [1-(9H-fluoren-2-yl)cyclopentyl] 2-methyl-2-(trifluoromethyl)butanoate?
The canonical SMILES for [1-(9H-fluoren-2-yl)cyclopentyl] 2-methyl-2-(trifluoromethyl)butanoate is CCC(C)(C(=O)OC1(c2ccc3c(c2)Cc2ccccc2-3)CCCC1)C(F)(F)F.
What is the InChIKey of [1-(9H-fluoren-2-yl)cyclopentyl] 2-methyl-2-(trifluoromethyl)butanoate?
The InChIKey is PIVJKEMOIOITFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3O2/c1-3-22(2,24(25,26)27)21(28)29-23(12-6-7-13-23)18-10-11-20-17(15-18)14-16-8-4-5-9-19(16)20/h4-5,8-11,15H,3,6-7,12-14H2,1-2H3.
What are the key properties of [1-(9H-fluoren-2-yl)cyclopentyl] 2-methyl-2-(trifluoromethyl)butanoate?
[1-(9H-fluoren-2-yl)cyclopentyl] 2-methyl-2-(trifluoromethyl)butanoate has a molecular weight of 402.46 g/mol, XLogP of 6.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(9H-fluoren-2-yl)cyclopentyl] 2-methyl-2-(trifluoromethyl)butanoate is sourced from PubChem (CID 59331075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).