2-hexoxy-9-(trifluoromethyl)fluoren-9-ol

C20H21F3O2 — CID 59492533

IUPAC2-hexoxy-9-(trifluoromethyl)fluoren-9-ol
SMILESCCCCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C20H21F3O2/c1-2-3-4-7-12-25-14-10-11-16-15-8-5-6-9-17(15)19(24,18(16)13-14)20(21,22)23/h5-6,8-11,13,24H,2-4,7,12H2,1H3
InChIKeyFHGGLSNOHHHWAI-UHFFFAOYSA-N
MW350.38 g/mol
LogP5.42
Rot. Bonds6

About 2-hexoxy-9-(trifluoromethyl)fluoren-9-ol

2-hexoxy-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492533) has the molecular formula C20H21F3O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-hexoxy-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-hexoxy-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492533
Molecular FormulaC20H21F3O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name2-hexoxy-9-(trifluoromethyl)fluoren-9-ol
SMILESCCCCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C20H21F3O2/c1-2-3-4-7-12-25-14-10-11-16-15-8-5-6-9-17(15)19(24,18(16)13-14)20(21,22)23/h5-6,8-11,13,24H,2-4,7,12H2,1H3
InChIKeyFHGGLSNOHHHWAI-UHFFFAOYSA-N
XLogP5.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.38
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-hexoxy-9-(trifluoromethyl)fluoren-9-ol (CID 59492533) is 2-hexoxy-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-hexoxy-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-hexoxy-9-(trifluoromethyl)fluoren-9-ol is CCCCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 2-hexoxy-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is FHGGLSNOHHHWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3O2/c1-2-3-4-7-12-25-14-10-11-16-15-8-5-6-9-17(15)19(24,18(16)13-14)20(21,22)23/h5-6,8-11,13,24H,2-4,7,12H2,1H3.
What are the key properties of 2-hexoxy-9-(trifluoromethyl)fluoren-9-ol?
2-hexoxy-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 350.38 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).