2,2,4,4,4-pentafluoro-3-hydroxy-1,3-diphenylbutan-1-one

C16H11F5O2 — CID 10520428

IUPAC2,2,4,4,4-pentafluoro-3-hydroxy-1,3-diphenylbutan-1-one
SMILESO=C(c1ccccc1)C(F)(F)C(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H11F5O2/c17-15(18,13(22)11-7-3-1-4-8-11)14(23,16(19,20)21)12-9-5-2-6-10-12/h1-10,23H
InChIKeyWATWSFGFTHSRNC-UHFFFAOYSA-N
MW330.25 g/mol
LogP3.95
Rot. Bonds4

About 2,2,4,4,4-pentafluoro-3-hydroxy-1,3-diphenylbutan-1-one

2,2,4,4,4-pentafluoro-3-hydroxy-1,3-diphenylbutan-1-one (PubChem CID 10520428) has the molecular formula C16H11F5O2 and a molecular weight of 330.25 g/mol. Its IUPAC name is 2,2,4,4,4-pentafluoro-3-hydroxy-1,3-diphenylbutan-1-one.

Molecular Properties

Compound Name2,2,4,4,4-pentafluoro-3-hydroxy-1,3-diphenylbutan-1-one
PubChem CID10520428
Molecular FormulaC16H11F5O2
Molecular Weight330.25 g/mol
Exact Mass330.07
IUPAC Name2,2,4,4,4-pentafluoro-3-hydroxy-1,3-diphenylbutan-1-one
SMILESO=C(c1ccccc1)C(F)(F)C(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H11F5O2/c17-15(18,13(22)11-7-3-1-4-8-11)14(23,16(19,20)21)12-9-5-2-6-10-12/h1-10,23H
InChIKeyWATWSFGFTHSRNC-UHFFFAOYSA-N
XLogP3.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-(1,1,1,3,3-pentafluoro-2-hydroxy-4-oxo-4-phenylbutan-2-yl)benzoate
CID 71505976
1,1,1,3,3,4,4,4-octafluoro-2-phenylbutan-2-ol
CID 14401239
2,2-difluoro-1,3-diphenylpropane-1,3-dione
CID 3317886
1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol
CID 157119135
2-chloro-1,2,2-triphenylethanone
CID 11301235
bis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol);1,1,1,3,3,3-hexafluoropropan-2-ol
CID 161340983
3,3-bis(4-chlorophenyl)-2,2-difluoro-1-phenylbutan-1-one
CID 156695080
diphenylmethanone;fluoroform;2,2,2-trifluoro-1,1-diphenylethanol
CID 158244251
2-hydroxy-3-oxo-2,3-diphenylpropanal
CID 87459670
1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 631065
CID 87293530
CID 87293530
CID 87090637
CID 87090637

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,4-pentafluoro-3-hydroxy-1,3-diphenylbutan-1-one?
The IUPAC name of 2,2,4,4,4-pentafluoro-3-hydroxy-1,3-diphenylbutan-1-one (CID 10520428) is 2,2,4,4,4-pentafluoro-3-hydroxy-1,3-diphenylbutan-1-one.
What is the SMILES notation for 2,2,4,4,4-pentafluoro-3-hydroxy-1,3-diphenylbutan-1-one?
The canonical SMILES for 2,2,4,4,4-pentafluoro-3-hydroxy-1,3-diphenylbutan-1-one is O=C(c1ccccc1)C(F)(F)C(O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,4,4,4-pentafluoro-3-hydroxy-1,3-diphenylbutan-1-one?
The InChIKey is WATWSFGFTHSRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5O2/c17-15(18,13(22)11-7-3-1-4-8-11)14(23,16(19,20)21)12-9-5-2-6-10-12/h1-10,23H.
What are the key properties of 2,2,4,4,4-pentafluoro-3-hydroxy-1,3-diphenylbutan-1-one?
2,2,4,4,4-pentafluoro-3-hydroxy-1,3-diphenylbutan-1-one has a molecular weight of 330.25 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,4-pentafluoro-3-hydroxy-1,3-diphenylbutan-1-one is sourced from PubChem (CID 10520428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).