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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Related Compounds

4-[2-(1,2,3,4-Tetrahydro-1,4-methano-naphthalen-6-yl)-propenyl]-benzoic acid
CID 44285104
4-[(Z)-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)prop-1-enyl]benzoic acid
CID 44321592
Methyl 9-hydroxy-9-(trifluoromethyl)fluorene-2-carboxylate
CID 59492499
Cylindrene
CID 190914
1-[9-Hydroxy-9-(trifluoromethyl)fluoren-4-yl]ethanone
CID 59492519
methyl 9-hydroxy-4-methyl-9-trifluoromethyl-9H-fluorene-2-carboxylate
CID 59492634
4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid
CID 59492705
3-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid
CID 59493131
3-oxospiro[1H-indene-2,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylic acid
CID 384728
7-Oxospiro[1,2,3,5-tetrahydro-s-indacene-6,2'-1,3-dihydroindene]-5'-carboxylic acid
CID 384737
Methyl 9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxylate
CID 59492606
Cyclopropyl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone
CID 59492608

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).