6-(2,2,3,3-tetrafluoropropoxy)hexan-2-one

C9H14F4O2 — CID 43793801

IUPAC6-(2,2,3,3-tetrafluoropropoxy)hexan-2-one
SMILESCC(=O)CCCCOCC(F)(F)C(F)F
InChIInChI=1S/C9H14F4O2/c1-7(14)4-2-3-5-15-6-9(12,13)8(10)11/h8H,2-6H2,1H3
InChIKeyXKVLYDGMFTZKIG-UHFFFAOYSA-N
MW230.20 g/mol
LogP2.66
Rot. Bonds8

About 6-(2,2,3,3-tetrafluoropropoxy)hexan-2-one

6-(2,2,3,3-tetrafluoropropoxy)hexan-2-one (PubChem CID 43793801) has the molecular formula C9H14F4O2 and a molecular weight of 230.20 g/mol. Its IUPAC name is 6-(2,2,3,3-tetrafluoropropoxy)hexan-2-one.

Molecular Properties

Compound Name6-(2,2,3,3-tetrafluoropropoxy)hexan-2-one
PubChem CID43793801
Molecular FormulaC9H14F4O2
Molecular Weight230.20 g/mol
Exact Mass230.09
IUPAC Name6-(2,2,3,3-tetrafluoropropoxy)hexan-2-one
SMILESCC(=O)CCCCOCC(F)(F)C(F)F
InChIInChI=1S/C9H14F4O2/c1-7(14)4-2-3-5-15-6-9(12,13)8(10)11/h8H,2-6H2,1H3
InChIKeyXKVLYDGMFTZKIG-UHFFFAOYSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2,3,3-tetrafluoropropoxy)hexan-2-one?
The IUPAC name of 6-(2,2,3,3-tetrafluoropropoxy)hexan-2-one (CID 43793801) is 6-(2,2,3,3-tetrafluoropropoxy)hexan-2-one.
What is the SMILES notation for 6-(2,2,3,3-tetrafluoropropoxy)hexan-2-one?
The canonical SMILES for 6-(2,2,3,3-tetrafluoropropoxy)hexan-2-one is CC(=O)CCCCOCC(F)(F)C(F)F.
What is the InChIKey of 6-(2,2,3,3-tetrafluoropropoxy)hexan-2-one?
The InChIKey is XKVLYDGMFTZKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4O2/c1-7(14)4-2-3-5-15-6-9(12,13)8(10)11/h8H,2-6H2,1H3.
What are the key properties of 6-(2,2,3,3-tetrafluoropropoxy)hexan-2-one?
6-(2,2,3,3-tetrafluoropropoxy)hexan-2-one has a molecular weight of 230.20 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,3,3-tetrafluoropropoxy)hexan-2-one is sourced from PubChem (CID 43793801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).