4-(hydroxymethyl)-2-methoxy-9-(trifluoromethyl)fluoren-9-ol

C16H13F3O3 — CID 59493171

IUPAC4-(hydroxymethyl)-2-methoxy-9-(trifluoromethyl)fluoren-9-ol
SMILESCOc1cc(CO)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C16H13F3O3/c1-22-10-6-9(8-20)14-11-4-2-3-5-12(11)15(21,13(14)7-10)16(17,18)19/h2-7,20-21H,8H2,1H3
InChIKeyVKTAJQFERGDDBP-UHFFFAOYSA-N
MW310.27 g/mol
LogP2.97
Rot. Bonds2

About 4-(hydroxymethyl)-2-methoxy-9-(trifluoromethyl)fluoren-9-ol

4-(hydroxymethyl)-2-methoxy-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59493171) has the molecular formula C16H13F3O3 and a molecular weight of 310.27 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-methoxy-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-methoxy-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59493171
Molecular FormulaC16H13F3O3
Molecular Weight310.27 g/mol
Exact Mass310.08
IUPAC Name4-(hydroxymethyl)-2-methoxy-9-(trifluoromethyl)fluoren-9-ol
SMILESCOc1cc(CO)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C16H13F3O3/c1-22-10-6-9(8-20)14-11-4-2-3-5-12(11)15(21,13(14)7-10)16(17,18)19/h2-7,20-21H,8H2,1H3
InChIKeyVKTAJQFERGDDBP-UHFFFAOYSA-N
XLogP2.97
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 122506276
2-(4-Hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492658
(2S,3R,4R,5S,6R)-2-[7-(difluoromethyl)-6-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71078474
(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
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
5-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoic acid
CID 59492626
2-Butoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492669
Ethyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoate
CID 59492815
2-(5-Hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492843

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2-methoxy-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 4-(hydroxymethyl)-2-methoxy-9-(trifluoromethyl)fluoren-9-ol (CID 59493171) is 4-(hydroxymethyl)-2-methoxy-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 4-(hydroxymethyl)-2-methoxy-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 4-(hydroxymethyl)-2-methoxy-9-(trifluoromethyl)fluoren-9-ol is COc1cc(CO)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 4-(hydroxymethyl)-2-methoxy-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is VKTAJQFERGDDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O3/c1-22-10-6-9(8-20)14-11-4-2-3-5-12(11)15(21,13(14)7-10)16(17,18)19/h2-7,20-21H,8H2,1H3.
What are the key properties of 4-(hydroxymethyl)-2-methoxy-9-(trifluoromethyl)fluoren-9-ol?
4-(hydroxymethyl)-2-methoxy-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 310.27 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2-methoxy-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59493171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).