1-[3-(difluoromethyl)-2-hydroxy-5-(trifluoromethyl)phenyl]ethanone

C10H7F5O2 — CID 171032603

IUPAC1-[3-(difluoromethyl)-2-hydroxy-5-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1cc(C(F)(F)F)cc(C(F)F)c1O
InChIInChI=1S/C10H7F5O2/c1-4(16)6-2-5(10(13,14)15)3-7(8(6)17)9(11)12/h2-3,9,17H,1H3
InChIKeyIUXFGILKUJJBOU-UHFFFAOYSA-N
MW254.15 g/mol
LogP3.55
Rot. Bonds2

About 1-[3-(difluoromethyl)-2-hydroxy-5-(trifluoromethyl)phenyl]ethanone

1-[3-(difluoromethyl)-2-hydroxy-5-(trifluoromethyl)phenyl]ethanone (PubChem CID 171032603) has the molecular formula C10H7F5O2 and a molecular weight of 254.15 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-2-hydroxy-5-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-2-hydroxy-5-(trifluoromethyl)phenyl]ethanone
PubChem CID171032603
Molecular FormulaC10H7F5O2
Molecular Weight254.15 g/mol
Exact Mass254.04
IUPAC Name1-[3-(difluoromethyl)-2-hydroxy-5-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1cc(C(F)(F)F)cc(C(F)F)c1O
InChIInChI=1S/C10H7F5O2/c1-4(16)6-2-5(10(13,14)15)3-7(8(6)17)9(11)12/h2-3,9,17H,1H3
InChIKeyIUXFGILKUJJBOU-UHFFFAOYSA-N
XLogP3.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-2-hydroxy-5-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[3-(difluoromethyl)-2-hydroxy-5-(trifluoromethyl)phenyl]ethanone (CID 171032603) is 1-[3-(difluoromethyl)-2-hydroxy-5-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(difluoromethyl)-2-hydroxy-5-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[3-(difluoromethyl)-2-hydroxy-5-(trifluoromethyl)phenyl]ethanone is CC(=O)c1cc(C(F)(F)F)cc(C(F)F)c1O.
What is the InChIKey of 1-[3-(difluoromethyl)-2-hydroxy-5-(trifluoromethyl)phenyl]ethanone?
The InChIKey is IUXFGILKUJJBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5O2/c1-4(16)6-2-5(10(13,14)15)3-7(8(6)17)9(11)12/h2-3,9,17H,1H3.
What are the key properties of 1-[3-(difluoromethyl)-2-hydroxy-5-(trifluoromethyl)phenyl]ethanone?
1-[3-(difluoromethyl)-2-hydroxy-5-(trifluoromethyl)phenyl]ethanone has a molecular weight of 254.15 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-2-hydroxy-5-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 171032603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).