3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-hydroxy-2-benzofuran-1-one

C11H5F7O3 — CID 102111028

IUPAC3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-hydroxy-2-benzofuran-1-one
SMILESO=C1OC(O)(C(F)(C(F)(F)F)C(F)(F)F)c2ccccc21
InChIInChI=1S/C11H5F7O3/c12-9(10(13,14)15,11(16,17)18)8(20)6-4-2-1-3-5(6)7(19)21-8/h1-4,20H
InChIKeyRFAYWALVDRHSAX-UHFFFAOYSA-N
MW318.14 g/mol
LogP2.84
Rot. Bonds1

About 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-hydroxy-2-benzofuran-1-one

3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-hydroxy-2-benzofuran-1-one (PubChem CID 102111028) has the molecular formula C11H5F7O3 and a molecular weight of 318.14 g/mol. Its IUPAC name is 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-hydroxy-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-hydroxy-2-benzofuran-1-one
PubChem CID102111028
Molecular FormulaC11H5F7O3
Molecular Weight318.14 g/mol
Exact Mass318.01
IUPAC Name3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-hydroxy-2-benzofuran-1-one
SMILESO=C1OC(O)(C(F)(C(F)(F)F)C(F)(F)F)c2ccccc21
InChIInChI=1S/C11H5F7O3/c12-9(10(13,14)15,11(16,17)18)8(20)6-4-2-1-3-5(6)7(19)21-8/h1-4,20H
InChIKeyRFAYWALVDRHSAX-UHFFFAOYSA-N
XLogP2.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.14
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-bis(trifluoromethyl)-2-benzofuran-1-one
CID 15146487
(3R)-6-chloro-3-hydroxy-3-(trifluoromethyl)-2-benzofuran-1-one
CID 124789520
3-hydroxy-3-phenyl-2-benzofuran-1-one
CID 12677389
3-chloro-3-iodo-2-benzofuran-1-one
CID 121481458
2,2,2-trifluoro-N-[4-[3-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-benzofuran-1-yl]phenyl]acetamide
CID 2849030
3-hydroxy-3-pyridin-2-yl-2-benzofuran-1-one
CID 14915521
3,3-dinitro-2-benzofuran-1-one
CID 174737679
3-methoxy-3-methyl-2-benzofuran-1-one
CID 15483639
benzene;3,3-dimethyl-2-benzofuran-1-one;ethane;methoxymethane
CID 91422174
3-chloro-3-(dichloromethyl)-2-benzofuran-1-one
CID 86120030
CID 175876286
CID 175876286
3-hydroxy-3-(1-hydroxybutyl)-2-benzofuran-1-one
CID 146285906

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-hydroxy-2-benzofuran-1-one?
The IUPAC name of 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-hydroxy-2-benzofuran-1-one (CID 102111028) is 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-hydroxy-2-benzofuran-1-one.
What is the SMILES notation for 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-hydroxy-2-benzofuran-1-one?
The canonical SMILES for 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-hydroxy-2-benzofuran-1-one is O=C1OC(O)(C(F)(C(F)(F)F)C(F)(F)F)c2ccccc21.
What is the InChIKey of 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-hydroxy-2-benzofuran-1-one?
The InChIKey is RFAYWALVDRHSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F7O3/c12-9(10(13,14)15,11(16,17)18)8(20)6-4-2-1-3-5(6)7(19)21-8/h1-4,20H.
What are the key properties of 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-hydroxy-2-benzofuran-1-one?
3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-hydroxy-2-benzofuran-1-one has a molecular weight of 318.14 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-hydroxy-2-benzofuran-1-one is sourced from PubChem (CID 102111028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).