2-(2,2-dimethylpropoxy)-9-(trifluoromethyl)fluoren-9-ol

C19H19F3O2 — CID 59492631

IUPAC2-(2,2-dimethylpropoxy)-9-(trifluoromethyl)fluoren-9-ol
SMILESCC(C)(C)COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C19H19F3O2/c1-17(2,3)11-24-12-8-9-14-13-6-4-5-7-15(13)18(23,16(14)10-12)19(20,21)22/h4-10,23H,11H2,1-3H3
InChIKeyGNIKQJCCXWPZCS-UHFFFAOYSA-N
MW336.35 g/mol
LogP4.89
Rot. Bonds2

About 2-(2,2-dimethylpropoxy)-9-(trifluoromethyl)fluoren-9-ol

2-(2,2-dimethylpropoxy)-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492631) has the molecular formula C19H19F3O2 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-(2,2-dimethylpropoxy)-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-(2,2-dimethylpropoxy)-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492631
Molecular FormulaC19H19F3O2
Molecular Weight336.35 g/mol
Exact Mass336.13
IUPAC Name2-(2,2-dimethylpropoxy)-9-(trifluoromethyl)fluoren-9-ol
SMILESCC(C)(C)COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C19H19F3O2/c1-17(2,3)11-24-12-8-9-14-13-6-4-5-7-15(13)18(23,16(14)10-12)19(20,21)22/h4-10,23H,11H2,1-3H3
InChIKeyGNIKQJCCXWPZCS-UHFFFAOYSA-N
XLogP4.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(4-Ethoxyphenyl)-2-methylpropoxy]methyl]phenol
CID 139596843
2-[(1S)-5-{3-[4-(trifluoromethyl)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110419
(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
(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
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
3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpropanamide
CID 59492562

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropoxy)-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-(2,2-dimethylpropoxy)-9-(trifluoromethyl)fluoren-9-ol (CID 59492631) is 2-(2,2-dimethylpropoxy)-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-(2,2-dimethylpropoxy)-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-(2,2-dimethylpropoxy)-9-(trifluoromethyl)fluoren-9-ol is CC(C)(C)COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 2-(2,2-dimethylpropoxy)-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is GNIKQJCCXWPZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3O2/c1-17(2,3)11-24-12-8-9-14-13-6-4-5-7-15(13)18(23,16(14)10-12)19(20,21)22/h4-10,23H,11H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropoxy)-9-(trifluoromethyl)fluoren-9-ol?
2-(2,2-dimethylpropoxy)-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 336.35 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropoxy)-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).