6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexan-3-one

C20H19F3O3 — CID 157310845

IUPAC6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexan-3-one
SMILESCCC(=O)CCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C20H19F3O3/c1-2-13(24)6-5-11-26-14-9-10-16-15-7-3-4-8-17(15)19(25,18(16)12-14)20(21,22)23/h3-4,7-10,12,25H,2,5-6,11H2,1H3
InChIKeyBDAFHJBIDXFQCB-UHFFFAOYSA-N
MW364.36 g/mol
LogP4.60
Rot. Bonds6

About 6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexan-3-one

6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexan-3-one (PubChem CID 157310845) has the molecular formula C20H19F3O3 and a molecular weight of 364.36 g/mol. Its IUPAC name is 6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexan-3-one.

Molecular Properties

Compound Name6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexan-3-one
PubChem CID157310845
Molecular FormulaC20H19F3O3
Molecular Weight364.36 g/mol
Exact Mass364.13
IUPAC Name6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexan-3-one
SMILESCCC(=O)CCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C20H19F3O3/c1-2-13(24)6-5-11-26-14-9-10-16-15-7-3-4-8-17(15)19(25,18(16)12-14)20(21,22)23/h3-4,7-10,12,25H,2,5-6,11H2,1H3
InChIKeyBDAFHJBIDXFQCB-UHFFFAOYSA-N
XLogP4.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 54.60
H-Bond Donors ≤ 51
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-[2-propyl-4-(trifluoromethyl)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 10455681
2-[(1S)-5-{3-[4-(trifluoromethyl)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110419
2-[(1S)-5-[3-(3,4-dimethylphenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110423
2-[(1S)-5-[3-(4-ethylphenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110511
2-[(1S)-5-{3-[4-(trifluoromethoxy)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110512
2-[(1S)-5-[3-(3-methylphenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110514
2-(4-Hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492658
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
3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpropanamide
CID 59492562

Frequently Asked Questions

What is the IUPAC name of 6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexan-3-one?
The IUPAC name of 6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexan-3-one (CID 157310845) is 6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexan-3-one.
What is the SMILES notation for 6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexan-3-one?
The canonical SMILES for 6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexan-3-one is CCC(=O)CCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexan-3-one?
The InChIKey is BDAFHJBIDXFQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3O3/c1-2-13(24)6-5-11-26-14-9-10-16-15-7-3-4-8-17(15)19(25,18(16)12-14)20(21,22)23/h3-4,7-10,12,25H,2,5-6,11H2,1H3.
What are the key properties of 6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexan-3-one?
6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexan-3-one has a molecular weight of 364.36 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexan-3-one is sourced from PubChem (CID 157310845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).