5-fluoro-4-(fluoromethyl)-4-hydroxypentan-2-one

C6H10F2O2 — CID 153345751

IUPAC5-fluoro-4-(fluoromethyl)-4-hydroxypentan-2-one
SMILESCC(=O)CC(O)(CF)CF
InChIInChI=1S/C6H10F2O2/c1-5(9)2-6(10,3-7)4-8/h10H,2-4H2,1H3
InChIKeyIEIJAWCAKGMXCK-UHFFFAOYSA-N
MW152.14 g/mol
LogP0.64
Rot. Bonds4

About 5-fluoro-4-(fluoromethyl)-4-hydroxypentan-2-one

5-fluoro-4-(fluoromethyl)-4-hydroxypentan-2-one (PubChem CID 153345751) has the molecular formula C6H10F2O2 and a molecular weight of 152.14 g/mol. Its IUPAC name is 5-fluoro-4-(fluoromethyl)-4-hydroxypentan-2-one.

Molecular Properties

Compound Name5-fluoro-4-(fluoromethyl)-4-hydroxypentan-2-one
PubChem CID153345751
Molecular FormulaC6H10F2O2
Molecular Weight152.14 g/mol
Exact Mass152.06
IUPAC Name5-fluoro-4-(fluoromethyl)-4-hydroxypentan-2-one
SMILESCC(=O)CC(O)(CF)CF
InChIInChI=1S/C6H10F2O2/c1-5(9)2-6(10,3-7)4-8/h10H,2-4H2,1H3
InChIKeyIEIJAWCAKGMXCK-UHFFFAOYSA-N
XLogP0.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.14
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-5-fluoro-4-methylpentan-2-one
CID 155006438
4-hydroxy-4-methylpentan-2-one
CID 87257073
CID 159178711
CID 159178711
4,4-bis(2-oxopropyl)heptane-2,6-dione
CID 118031605
sodium 5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-one
CID 54611412
4,4,5,5-tetramethyloctane-2,7-dione
CID 28679
sodium;4-hydroxy-4-methylpentan-2-one;chloride
CID 174855512
4-amino-4-methylpentan-2-one;ethane
CID 142087513
5,5,6,6,7,7,7-heptafluoro-4,4-dihydroxyheptan-2-one
CID 12951200
4-hydroxy-4-methylpentan-2-one;methoxymethane
CID 87184803
4-fluoro-4-methylhexan-2-one
CID 126626777
1-fluoropropan-2-one;methane;tetrafluoromethane
CID 159658714

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(fluoromethyl)-4-hydroxypentan-2-one?
The IUPAC name of 5-fluoro-4-(fluoromethyl)-4-hydroxypentan-2-one (CID 153345751) is 5-fluoro-4-(fluoromethyl)-4-hydroxypentan-2-one.
What is the SMILES notation for 5-fluoro-4-(fluoromethyl)-4-hydroxypentan-2-one?
The canonical SMILES for 5-fluoro-4-(fluoromethyl)-4-hydroxypentan-2-one is CC(=O)CC(O)(CF)CF.
What is the InChIKey of 5-fluoro-4-(fluoromethyl)-4-hydroxypentan-2-one?
The InChIKey is IEIJAWCAKGMXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O2/c1-5(9)2-6(10,3-7)4-8/h10H,2-4H2,1H3.
What are the key properties of 5-fluoro-4-(fluoromethyl)-4-hydroxypentan-2-one?
5-fluoro-4-(fluoromethyl)-4-hydroxypentan-2-one has a molecular weight of 152.14 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(fluoromethyl)-4-hydroxypentan-2-one is sourced from PubChem (CID 153345751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).