2-(4-hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol

C18H17F3O3 — CID 59492658

IUPAC2-(4-hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol
SMILESOCCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C18H17F3O3/c19-18(20,21)17(23)15-6-2-1-5-13(15)14-8-7-12(11-16(14)17)24-10-4-3-9-22/h1-2,5-8,11,22-23H,3-4,9-10H2
InChIKeyZSZKCXNKKKHHSO-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.62
Rot. Bonds5

About 2-(4-hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol

2-(4-hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492658) has the molecular formula C18H17F3O3 and a molecular weight of 338.33 g/mol. Its IUPAC name is 2-(4-hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-(4-hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492658
Molecular FormulaC18H17F3O3
Molecular Weight338.33 g/mol
Exact Mass338.11
IUPAC Name2-(4-hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol
SMILESOCCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C18H17F3O3/c19-18(20,21)17(23)15-6-2-1-5-13(15)14-8-7-12(11-16(14)17)24-10-4-3-9-22/h1-2,5-8,11,22-23H,3-4,9-10H2
InChIKeyZSZKCXNKKKHHSO-UHFFFAOYSA-N
XLogP3.62
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1S)-5-{3-[4-(trifluoromethyl)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110419
2-[(1S)-5-{3-[4-(trifluoromethoxy)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110512
(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
(8R,9S,13S,14S,17R)-3-methoxy-13-methyl-17-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-2-enyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
CID 49782554
(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-6a,9-diol
CID 57403753
1-[3-[[2-(Hydroxymethyl)phenyl]methoxy]phenyl]pentan-1-ol
CID 44265504
4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid
CID 59492679
tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylcarbamate
CID 59492476
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-(4-hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol (CID 59492658) is 2-(4-hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-(4-hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-(4-hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol is OCCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 2-(4-hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is ZSZKCXNKKKHHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3O3/c19-18(20,21)17(23)15-6-2-1-5-13(15)14-8-7-12(11-16(14)17)24-10-4-3-9-22/h1-2,5-8,11,22-23H,3-4,9-10H2.
What are the key properties of 2-(4-hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol?
2-(4-hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 338.33 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).