1-bromo-10-hydroxy-10-(trifluoromethyl)anthracen-9-one

C15H8BrF3O2 — CID 154697555

IUPAC1-bromo-10-hydroxy-10-(trifluoromethyl)anthracen-9-one
SMILESO=C1c2ccccc2C(O)(C(F)(F)F)c2cccc(Br)c21
InChIInChI=1S/C15H8BrF3O2/c16-11-7-3-6-10-12(11)13(20)8-4-1-2-5-9(8)14(10,21)15(17,18)19/h1-7,21H
InChIKeyGXRNKSQUXYPRGB-UHFFFAOYSA-N
MW357.12 g/mol
LogP3.79
Rot. Bonds

About 1-bromo-10-hydroxy-10-(trifluoromethyl)anthracen-9-one

1-bromo-10-hydroxy-10-(trifluoromethyl)anthracen-9-one (PubChem CID 154697555) has the molecular formula C15H8BrF3O2 and a molecular weight of 357.12 g/mol. Its IUPAC name is 1-bromo-10-hydroxy-10-(trifluoromethyl)anthracen-9-one.

Molecular Properties

Compound Name1-bromo-10-hydroxy-10-(trifluoromethyl)anthracen-9-one
PubChem CID154697555
Molecular FormulaC15H8BrF3O2
Molecular Weight357.12 g/mol
Exact Mass355.97
IUPAC Name1-bromo-10-hydroxy-10-(trifluoromethyl)anthracen-9-one
SMILESO=C1c2ccccc2C(O)(C(F)(F)F)c2cccc(Br)c21
InChIInChI=1S/C15H8BrF3O2/c16-11-7-3-6-10-12(11)13(20)8-4-1-2-5-9(8)14(10,21)15(17,18)19/h1-7,21H
InChIKeyGXRNKSQUXYPRGB-UHFFFAOYSA-N
XLogP3.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.12
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-9-(trifluoromethyl)fluoren-9-ol
CID 59493116
4-methylsulfonyl-9-(trifluoromethyl)fluoren-9-ol
CID 59493010
4,9-bis(trifluoromethyl)fluoren-9-ol
CID 59492966
4-prop-1-en-2-yl-9-(trifluoromethyl)fluoren-9-ol
CID 59492630
aziridin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone
CID 59492958
ethyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate
CID 59493198
1-fluoro-9-(trifluoromethyl)fluoren-9-ol
CID 59492710
1-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutan-2-one
CID 159298887
3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propanamide
CID 59493073
3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid
CID 59493131
4-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 59492700
2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 59492627

Frequently Asked Questions

What is the IUPAC name of 1-bromo-10-hydroxy-10-(trifluoromethyl)anthracen-9-one?
The IUPAC name of 1-bromo-10-hydroxy-10-(trifluoromethyl)anthracen-9-one (CID 154697555) is 1-bromo-10-hydroxy-10-(trifluoromethyl)anthracen-9-one.
What is the SMILES notation for 1-bromo-10-hydroxy-10-(trifluoromethyl)anthracen-9-one?
The canonical SMILES for 1-bromo-10-hydroxy-10-(trifluoromethyl)anthracen-9-one is O=C1c2ccccc2C(O)(C(F)(F)F)c2cccc(Br)c21.
What is the InChIKey of 1-bromo-10-hydroxy-10-(trifluoromethyl)anthracen-9-one?
The InChIKey is GXRNKSQUXYPRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrF3O2/c16-11-7-3-6-10-12(11)13(20)8-4-1-2-5-9(8)14(10,21)15(17,18)19/h1-7,21H.
What are the key properties of 1-bromo-10-hydroxy-10-(trifluoromethyl)anthracen-9-one?
1-bromo-10-hydroxy-10-(trifluoromethyl)anthracen-9-one has a molecular weight of 357.12 g/mol, XLogP of 3.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-10-hydroxy-10-(trifluoromethyl)anthracen-9-one is sourced from PubChem (CID 154697555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).