1,1,5,5,6,7,7,7-octafluoro-2-hydroxy-2-methylheptan-3-one

C8H8F8O2 — CID 139700115

IUPAC1,1,5,5,6,7,7,7-octafluoro-2-hydroxy-2-methylheptan-3-one
SMILESCC(O)(C(=O)CC(F)(F)C(F)C(F)(F)F)C(F)F
InChIInChI=1S/C8H8F8O2/c1-6(18,5(10)11)3(17)2-7(12,13)4(9)8(14,15)16/h4-5,18H,2H2,1H3
InChIKeyFYCSZXIWJGJGRT-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.50
Rot. Bonds5

About 1,1,5,5,6,7,7,7-octafluoro-2-hydroxy-2-methylheptan-3-one

1,1,5,5,6,7,7,7-octafluoro-2-hydroxy-2-methylheptan-3-one (PubChem CID 139700115) has the molecular formula C8H8F8O2 and a molecular weight of 288.13 g/mol. Its IUPAC name is 1,1,5,5,6,7,7,7-octafluoro-2-hydroxy-2-methylheptan-3-one.

Molecular Properties

Compound Name1,1,5,5,6,7,7,7-octafluoro-2-hydroxy-2-methylheptan-3-one
PubChem CID139700115
Molecular FormulaC8H8F8O2
Molecular Weight288.13 g/mol
Exact Mass288.04
IUPAC Name1,1,5,5,6,7,7,7-octafluoro-2-hydroxy-2-methylheptan-3-one
SMILESCC(O)(C(=O)CC(F)(F)C(F)C(F)(F)F)C(F)F
InChIInChI=1S/C8H8F8O2/c1-6(18,5(10)11)3(17)2-7(12,13)4(9)8(14,15)16/h4-5,18H,2H2,1H3
InChIKeyFYCSZXIWJGJGRT-UHFFFAOYSA-N
XLogP2.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,5,5,6,7,7,7-octafluoro-2-hydroxy-2-methylheptan-3-one?
The IUPAC name of 1,1,5,5,6,7,7,7-octafluoro-2-hydroxy-2-methylheptan-3-one (CID 139700115) is 1,1,5,5,6,7,7,7-octafluoro-2-hydroxy-2-methylheptan-3-one.
What is the SMILES notation for 1,1,5,5,6,7,7,7-octafluoro-2-hydroxy-2-methylheptan-3-one?
The canonical SMILES for 1,1,5,5,6,7,7,7-octafluoro-2-hydroxy-2-methylheptan-3-one is CC(O)(C(=O)CC(F)(F)C(F)C(F)(F)F)C(F)F.
What is the InChIKey of 1,1,5,5,6,7,7,7-octafluoro-2-hydroxy-2-methylheptan-3-one?
The InChIKey is FYCSZXIWJGJGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F8O2/c1-6(18,5(10)11)3(17)2-7(12,13)4(9)8(14,15)16/h4-5,18H,2H2,1H3.
What are the key properties of 1,1,5,5,6,7,7,7-octafluoro-2-hydroxy-2-methylheptan-3-one?
1,1,5,5,6,7,7,7-octafluoro-2-hydroxy-2-methylheptan-3-one has a molecular weight of 288.13 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5,5,6,7,7,7-octafluoro-2-hydroxy-2-methylheptan-3-one is sourced from PubChem (CID 139700115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).