2-(6-hydroxyhexoxy)-9-(trifluoromethyl)fluoren-9-ol

C20H21F3O3 — CID 59492866

IUPAC2-(6-hydroxyhexoxy)-9-(trifluoromethyl)fluoren-9-ol
SMILESOCCCCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C20H21F3O3/c21-20(22,23)19(25)17-8-4-3-7-15(17)16-10-9-14(13-18(16)19)26-12-6-2-1-5-11-24/h3-4,7-10,13,24-25H,1-2,5-6,11-12H2
InChIKeyXCDAVAOOOZZKCZ-UHFFFAOYSA-N
MW366.38 g/mol
LogP4.40
Rot. Bonds7

About 2-(6-hydroxyhexoxy)-9-(trifluoromethyl)fluoren-9-ol

2-(6-hydroxyhexoxy)-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492866) has the molecular formula C20H21F3O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is 2-(6-hydroxyhexoxy)-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-(6-hydroxyhexoxy)-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492866
Molecular FormulaC20H21F3O3
Molecular Weight366.38 g/mol
Exact Mass366.14
IUPAC Name2-(6-hydroxyhexoxy)-9-(trifluoromethyl)fluoren-9-ol
SMILESOCCCCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C20H21F3O3/c21-20(22,23)19(25)17-8-4-3-7-15(17)16-10-9-14(13-18(16)19)26-12-6-2-1-5-11-24/h3-4,7-10,13,24-25H,1-2,5-6,11-12H2
InChIKeyXCDAVAOOOZZKCZ-UHFFFAOYSA-N
XLogP4.40
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 54.40
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

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
2-(4-Hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492658
(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

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxyhexoxy)-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-(6-hydroxyhexoxy)-9-(trifluoromethyl)fluoren-9-ol (CID 59492866) is 2-(6-hydroxyhexoxy)-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-(6-hydroxyhexoxy)-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-(6-hydroxyhexoxy)-9-(trifluoromethyl)fluoren-9-ol is OCCCCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 2-(6-hydroxyhexoxy)-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is XCDAVAOOOZZKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3O3/c21-20(22,23)19(25)17-8-4-3-7-15(17)16-10-9-14(13-18(16)19)26-12-6-2-1-5-11-24/h3-4,7-10,13,24-25H,1-2,5-6,11-12H2.
What are the key properties of 2-(6-hydroxyhexoxy)-9-(trifluoromethyl)fluoren-9-ol?
2-(6-hydroxyhexoxy)-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 366.38 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxyhexoxy)-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).