ethyl 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoate

C21H21F3O4 — CID 59492500

IUPACethyl 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoate
SMILESCCOC(=O)CCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C21H21F3O4/c1-2-27-19(25)9-5-6-12-28-14-10-11-16-15-7-3-4-8-17(15)20(26,18(16)13-14)21(22,23)24/h3-4,7-8,10-11,13,26H,2,5-6,9,12H2,1H3
InChIKeyABBKCQLEJBSUDQ-UHFFFAOYSA-N
MW394.39 g/mol
LogP4.58
Rot. Bonds7

About ethyl 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoate

ethyl 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoate (PubChem CID 59492500) has the molecular formula C21H21F3O4 and a molecular weight of 394.39 g/mol. Its IUPAC name is ethyl 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoate.

Molecular Properties

Compound Nameethyl 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoate
PubChem CID59492500
Molecular FormulaC21H21F3O4
Molecular Weight394.39 g/mol
Exact Mass394.14
IUPAC Nameethyl 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoate
SMILESCCOC(=O)CCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C21H21F3O4/c1-2-27-19(25)9-5-6-12-28-14-10-11-16-15-7-3-4-8-17(15)20(26,18(16)13-14)21(22,23)24/h3-4,7-8,10-11,13,26H,2,5-6,9,12H2,1H3
InChIKeyABBKCQLEJBSUDQ-UHFFFAOYSA-N
XLogP4.58
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoate 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

6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexanoic acid
CID 59492967
4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutane-1,1-diol
CID 162559010
4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxy-N,N-dimethylbutanamide
CID 143972431
2-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl-methylamino]acetic acid
CID 59492579
ethyl 5-(2-oxochromen-7-yl)oxypentanoate
CID 10401949
ethyl 6-(4-tert-butylphenoxy)hexanoate
CID 59210875
ethyl 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperidine-4-carboxylate
CID 59493152
ethyl 11-(4-phenylmethoxyphenoxy)undecanoate
CID 21259961
ethyl 7-(4-chlorophenoxy)heptanoate
CID 158846599
ethyl 5-(3,4,5-trifluorophenoxy)pentanoate
CID 91655865
ethyl 5-(4-formylphenoxy)pentanoate
CID 91655164
ethyl 5-[4-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]phenoxy]pentanoate
CID 57201477

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoate?
The IUPAC name of ethyl 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoate (CID 59492500) is ethyl 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoate.
What is the SMILES notation for ethyl 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoate?
The canonical SMILES for ethyl 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoate is CCOC(=O)CCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of ethyl 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoate?
The InChIKey is ABBKCQLEJBSUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3O4/c1-2-27-19(25)9-5-6-12-28-14-10-11-16-15-7-3-4-8-17(15)20(26,18(16)13-14)21(22,23)24/h3-4,7-8,10-11,13,26H,2,5-6,9,12H2,1H3.
What are the key properties of ethyl 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoate?
ethyl 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoate has a molecular weight of 394.39 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoate is sourced from PubChem (CID 59492500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).