6-fluoro-5-(fluoromethyl)-2-methylhexan-3-one

C8H14F2O — CID 158464298

IUPAC6-fluoro-5-(fluoromethyl)-2-methylhexan-3-one
SMILESCC(C)C(=O)CC(CF)CF
InChIInChI=1S/C8H14F2O/c1-6(2)8(11)3-7(4-9)5-10/h6-7H,3-5H2,1-2H3
InChIKeySRVMTEOGPDNIQT-UHFFFAOYSA-N
MW164.19 g/mol
LogP2.16
Rot. Bonds5

About 6-fluoro-5-(fluoromethyl)-2-methylhexan-3-one

6-fluoro-5-(fluoromethyl)-2-methylhexan-3-one (PubChem CID 158464298) has the molecular formula C8H14F2O and a molecular weight of 164.19 g/mol. Its IUPAC name is 6-fluoro-5-(fluoromethyl)-2-methylhexan-3-one.

Molecular Properties

Compound Name6-fluoro-5-(fluoromethyl)-2-methylhexan-3-one
PubChem CID158464298
Molecular FormulaC8H14F2O
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Name6-fluoro-5-(fluoromethyl)-2-methylhexan-3-one
SMILESCC(C)C(=O)CC(CF)CF
InChIInChI=1S/C8H14F2O/c1-6(2)8(11)3-7(4-9)5-10/h6-7H,3-5H2,1-2H3
InChIKeySRVMTEOGPDNIQT-UHFFFAOYSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-(fluoromethyl)-2-methylhexan-3-one?
The IUPAC name of 6-fluoro-5-(fluoromethyl)-2-methylhexan-3-one (CID 158464298) is 6-fluoro-5-(fluoromethyl)-2-methylhexan-3-one.
What is the SMILES notation for 6-fluoro-5-(fluoromethyl)-2-methylhexan-3-one?
The canonical SMILES for 6-fluoro-5-(fluoromethyl)-2-methylhexan-3-one is CC(C)C(=O)CC(CF)CF.
What is the InChIKey of 6-fluoro-5-(fluoromethyl)-2-methylhexan-3-one?
The InChIKey is SRVMTEOGPDNIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O/c1-6(2)8(11)3-7(4-9)5-10/h6-7H,3-5H2,1-2H3.
What are the key properties of 6-fluoro-5-(fluoromethyl)-2-methylhexan-3-one?
6-fluoro-5-(fluoromethyl)-2-methylhexan-3-one has a molecular weight of 164.19 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-(fluoromethyl)-2-methylhexan-3-one is sourced from PubChem (CID 158464298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).