2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol

C19H19F3O3 — CID 59492843

IUPAC2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol
SMILESOCCCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C19H19F3O3/c20-19(21,22)18(24)16-7-3-2-6-14(16)15-9-8-13(12-17(15)18)25-11-5-1-4-10-23/h2-3,6-9,12,23-24H,1,4-5,10-11H2
InChIKeyZEXPLUXIHVMPOG-UHFFFAOYSA-N
MW352.35 g/mol
LogP4.01
Rot. Bonds6

About 2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol

2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492843) has the molecular formula C19H19F3O3 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492843
Molecular FormulaC19H19F3O3
Molecular Weight352.35 g/mol
Exact Mass352.13
IUPAC Name2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol
SMILESOCCCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C19H19F3O3/c20-19(21,22)18(24)16-7-3-2-6-14(16)15-9-8-13(12-17(15)18)25-11-5-1-4-10-23/h2-3,6-9,12,23-24H,1,4-5,10-11H2
InChIKeyZEXPLUXIHVMPOG-UHFFFAOYSA-N
XLogP4.01
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,3aS,4R,9bR)-4-(4-hydroxyphenyl)-2-(trifluoromethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
CID 11256602
(2R,4R,6S,7R)-7-(4-hydroxyphenyl)-4-(trifluoromethyl)-8-oxatricyclo[7.4.0.0;{2,6}]trideca-1(9),10,12-trien-12-ol
CID 11314096
(1R)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 122506276
(3E,5E)-6-[3-(3,4-Bis-hydroxymethylbenzyloxy)-phenyl]-1,1,1-trifluoro-2-trifluoromethylocta-3,5-dien-2-ol
CID 59263692
2-(4-Hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492658
1-(trans-2-((4-(Trifluoromethoxy)benzyloxy)methyl)cyclopentyl)-3-phenylpropan-1-ol
CID 44408740
(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-6a,9-diol
CID 57403753
4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid
CID 59492679
Ethyl 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoate
CID 59492500
2-[3-(Dimethylamino)propoxy]-9-(trifluoromethyl)fluoren-9-ol
CID 59492528
2-Hexoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492533
3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpropanamide
CID 59492562

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol (CID 59492843) is 2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol is OCCCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is ZEXPLUXIHVMPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3O3/c20-19(21,22)18(24)16-7-3-2-6-14(16)15-9-8-13(12-17(15)18)25-11-5-1-4-10-23/h2-3,6-9,12,23-24H,1,4-5,10-11H2.
What are the key properties of 2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol?
2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 352.35 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).