cyclopentyl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone

C20H17F3O2 — CID 59493035

IUPACcyclopentyl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
SMILESO=C(c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)C1CCCC1
InChIInChI=1S/C20H17F3O2/c21-20(22,23)19(25)16-8-4-3-7-14(16)15-10-9-13(11-17(15)19)18(24)12-5-1-2-6-12/h3-4,7-12,25H,1-2,5-6H2
InChIKeyXNSPYLZNYXAEIQ-UHFFFAOYSA-N
MW346.35 g/mol
LogP4.84
Rot. Bonds2

About cyclopentyl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone

cyclopentyl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone (PubChem CID 59493035) has the molecular formula C20H17F3O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is cyclopentyl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
PubChem CID59493035
Molecular FormulaC20H17F3O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC Namecyclopentyl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
SMILESO=C(c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)C1CCCC1
InChIInChI=1S/C20H17F3O2/c21-20(22,23)19(25)16-8-4-3-7-14(16)15-10-9-13(11-17(15)19)18(24)12-5-1-2-6-12/h3-4,7-12,25H,1-2,5-6H2
InChIKeyXNSPYLZNYXAEIQ-UHFFFAOYSA-N
XLogP4.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone?
The IUPAC name of cyclopentyl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone (CID 59493035) is cyclopentyl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone.
What is the SMILES notation for cyclopentyl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone?
The canonical SMILES for cyclopentyl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone is O=C(c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)C1CCCC1.
What is the InChIKey of cyclopentyl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone?
The InChIKey is XNSPYLZNYXAEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3O2/c21-20(22,23)19(25)16-8-4-3-7-14(16)15-10-9-13(11-17(15)19)18(24)12-5-1-2-6-12/h3-4,7-12,25H,1-2,5-6H2.
What are the key properties of cyclopentyl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone?
cyclopentyl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone has a molecular weight of 346.35 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone is sourced from PubChem (CID 59493035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).