2,3,3,3-tetrafluoro-1-(2-hydroxyphenyl)propan-1-one

C9H6F4O2 — CID 12856740

IUPAC2,3,3,3-tetrafluoro-1-(2-hydroxyphenyl)propan-1-one
SMILESO=C(c1ccccc1O)C(F)C(F)(F)F
InChIInChI=1S/C9H6F4O2/c10-8(9(11,12)13)7(15)5-3-1-2-4-6(5)14/h1-4,8,14H
InChIKeyNSCGGDALZCIDMB-UHFFFAOYSA-N
MW222.14 g/mol
LogP2.48
Rot. Bonds2

About 2,3,3,3-tetrafluoro-1-(2-hydroxyphenyl)propan-1-one

2,3,3,3-tetrafluoro-1-(2-hydroxyphenyl)propan-1-one (PubChem CID 12856740) has the molecular formula C9H6F4O2 and a molecular weight of 222.14 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-1-(2-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-1-(2-hydroxyphenyl)propan-1-one
PubChem CID12856740
Molecular FormulaC9H6F4O2
Molecular Weight222.14 g/mol
Exact Mass222.03
IUPAC Name2,3,3,3-tetrafluoro-1-(2-hydroxyphenyl)propan-1-one
SMILESO=C(c1ccccc1O)C(F)C(F)(F)F
InChIInChI=1S/C9H6F4O2/c10-8(9(11,12)13)7(15)5-3-1-2-4-6(5)14/h1-4,8,14H
InChIKeyNSCGGDALZCIDMB-UHFFFAOYSA-N
XLogP2.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.14
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropan-1-one
CID 102134587
2,2,2-trifluoro-1-(2-hydroxyphenyl)ethanone
CID 2761164
2-hydroxy-1,2-bis(2-hydroxyphenyl)ethanone
CID 15792827
2,3-dihydroxy-1-(2-hydroxyphenyl)propan-1-one;hydrate
CID 140998893
2-bromo-1-(2-hydroxyphenyl)-2-methoxyethanone
CID 165349334
3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1-(2-hydroxyphenyl)propan-1-one
CID 154710089
2-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzoic acid
CID 69287496
[2-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-phenylmethanone
CID 19821213
3-hydroxy-1-(2-hydroxyphenyl)-2-phenylpropan-1-one
CID 175475394
chromium;2-hydroxybenzoic acid
CID 87079476
2-hydroxybenzoic acid;praseodymium
CID 87786006
CID 87183669
CID 87183669

Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-1-(2-hydroxyphenyl)propan-1-one?
The IUPAC name of 2,3,3,3-tetrafluoro-1-(2-hydroxyphenyl)propan-1-one (CID 12856740) is 2,3,3,3-tetrafluoro-1-(2-hydroxyphenyl)propan-1-one.
What is the SMILES notation for 2,3,3,3-tetrafluoro-1-(2-hydroxyphenyl)propan-1-one?
The canonical SMILES for 2,3,3,3-tetrafluoro-1-(2-hydroxyphenyl)propan-1-one is O=C(c1ccccc1O)C(F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-1-(2-hydroxyphenyl)propan-1-one?
The InChIKey is NSCGGDALZCIDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4O2/c10-8(9(11,12)13)7(15)5-3-1-2-4-6(5)14/h1-4,8,14H.
What are the key properties of 2,3,3,3-tetrafluoro-1-(2-hydroxyphenyl)propan-1-one?
2,3,3,3-tetrafluoro-1-(2-hydroxyphenyl)propan-1-one has a molecular weight of 222.14 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-1-(2-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 12856740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).