1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one

C9H14F4O2 — CID 103473659

IUPAC1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one
SMILESCCCCC(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C9H14F4O2/c1-2-3-4-7(14)5-15-6-9(12,13)8(10)11/h8H,2-6H2,1H3
InChIKeyMXCZQFUKHIZQIM-UHFFFAOYSA-N
MW230.20 g/mol
LogP2.66
Rot. Bonds8

About 1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one

1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one (PubChem CID 103473659) has the molecular formula C9H14F4O2 and a molecular weight of 230.20 g/mol. Its IUPAC name is 1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one.

Molecular Properties

Compound Name1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one
PubChem CID103473659
Molecular FormulaC9H14F4O2
Molecular Weight230.20 g/mol
Exact Mass230.09
IUPAC Name1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one
SMILESCCCCC(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C9H14F4O2/c1-2-3-4-7(14)5-15-6-9(12,13)8(10)11/h8H,2-6H2,1H3
InChIKeyMXCZQFUKHIZQIM-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': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,2,3,3-tetrafluoropropoxy)dodecan-2-one
CID 103473872
1-(2,2,3,3-tetrafluoropropoxy)hept-5-yn-2-one
CID 103473818
1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
CID 103473882
4-(4-methoxyphenyl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-one
CID 103473705
1-(2-methylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
CID 103473795
1-(4-ethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 43800999
1-ethoxyhexadecan-2-one
CID 58991968
5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one
CID 103473645
1-(2-methoxy-5-methylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
CID 103473738
1-hexoxyundecan-2-one
CID 57063853
1-cyclobutyl-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 103473846
1-(2,2,3,3-tetrafluoropropoxy)heptan-2-amine
CID 103475085

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one?
The IUPAC name of 1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one (CID 103473659) is 1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one.
What is the SMILES notation for 1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one?
The canonical SMILES for 1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one is CCCCC(=O)COCC(F)(F)C(F)F.
What is the InChIKey of 1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one?
The InChIKey is MXCZQFUKHIZQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4O2/c1-2-3-4-7(14)5-15-6-9(12,13)8(10)11/h8H,2-6H2,1H3.
What are the key properties of 1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one?
1-(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 1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one is sourced from PubChem (CID 103473659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).