1-(trifluoromethyl)-9,10-dihydroanthracene-9,10-diol

C15H11F3O2 — CID 151562848

IUPAC1-(trifluoromethyl)-9,10-dihydroanthracene-9,10-diol
SMILESOC1c2ccccc2C(O)c2c1cccc2C(F)(F)F
InChIInChI=1S/C15H11F3O2/c16-15(17,18)11-7-3-6-10-12(11)14(20)9-5-2-1-4-8(9)13(10)19/h1-7,13-14,19-20H
InChIKeyQCVBBJYRTGTISY-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.18
Rot. Bonds

About 1-(trifluoromethyl)-9,10-dihydroanthracene-9,10-diol

1-(trifluoromethyl)-9,10-dihydroanthracene-9,10-diol (PubChem CID 151562848) has the molecular formula C15H11F3O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 1-(trifluoromethyl)-9,10-dihydroanthracene-9,10-diol.

Molecular Properties

Compound Name1-(trifluoromethyl)-9,10-dihydroanthracene-9,10-diol
PubChem CID151562848
Molecular FormulaC15H11F3O2
Molecular Weight280.25 g/mol
Exact Mass280.07
IUPAC Name1-(trifluoromethyl)-9,10-dihydroanthracene-9,10-diol
SMILESOC1c2ccccc2C(O)c2c1cccc2C(F)(F)F
InChIInChI=1S/C15H11F3O2/c16-15(17,18)11-7-3-6-10-12(11)14(20)9-5-2-1-4-8(9)13(10)19/h1-7,13-14,19-20H
InChIKeyQCVBBJYRTGTISY-UHFFFAOYSA-N
XLogP3.18
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(1R,8S)-9-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
CID 98125517
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CID 173480467
2-(trifluoromethyl)phenol
CID 162212145
(5R,6S)-6-amino-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 51600967
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CID 102466561
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CID 65046310
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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-9,10-dihydroanthracene-9,10-diol?
The IUPAC name of 1-(trifluoromethyl)-9,10-dihydroanthracene-9,10-diol (CID 151562848) is 1-(trifluoromethyl)-9,10-dihydroanthracene-9,10-diol.
What is the SMILES notation for 1-(trifluoromethyl)-9,10-dihydroanthracene-9,10-diol?
The canonical SMILES for 1-(trifluoromethyl)-9,10-dihydroanthracene-9,10-diol is OC1c2ccccc2C(O)c2c1cccc2C(F)(F)F.
What is the InChIKey of 1-(trifluoromethyl)-9,10-dihydroanthracene-9,10-diol?
The InChIKey is QCVBBJYRTGTISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O2/c16-15(17,18)11-7-3-6-10-12(11)14(20)9-5-2-1-4-8(9)13(10)19/h1-7,13-14,19-20H.
What are the key properties of 1-(trifluoromethyl)-9,10-dihydroanthracene-9,10-diol?
1-(trifluoromethyl)-9,10-dihydroanthracene-9,10-diol has a molecular weight of 280.25 g/mol, XLogP of 3.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-9,10-dihydroanthracene-9,10-diol is sourced from PubChem (CID 151562848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).