1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one

C9H14F4O3 — CID 103473882

IUPAC1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
SMILESCC(C)OCC(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C9H14F4O3/c1-6(2)16-4-7(14)3-15-5-9(12,13)8(10)11/h6,8H,3-5H2,1-2H3
InChIKeyLMWPEIYBKRHDKV-UHFFFAOYSA-N
MW246.20 g/mol
LogP1.90
Rot. Bonds8

About 1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one

1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one (PubChem CID 103473882) has the molecular formula C9H14F4O3 and a molecular weight of 246.20 g/mol. Its IUPAC name is 1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one.

Molecular Properties

Compound Name1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
PubChem CID103473882
Molecular FormulaC9H14F4O3
Molecular Weight246.20 g/mol
Exact Mass246.09
IUPAC Name1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
SMILESCC(C)OCC(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C9H14F4O3/c1-6(2)16-4-7(14)3-15-5-9(12,13)8(10)11/h6,8H,3-5H2,1-2H3
InChIKeyLMWPEIYBKRHDKV-UHFFFAOYSA-N
XLogP1.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.20
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one
CID 103473659
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-ol
CID 103473992
4,4,4-trifluoro-1-propan-2-yloxybutan-2-one
CID 79568383
2-propan-2-yloxy-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 103528341
1-(2-methylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
CID 103473795
5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one
CID 103473645
(4S)-4-(2,2,3,3-tetrafluoropropoxy)pent-1-en-3-one
CID 167252091
4-(4-methoxyphenyl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-one
CID 103473705
1-(2-methoxy-5-methylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
CID 103473738
1-cyclobutyl-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 103473846

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one?
The IUPAC name of 1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one (CID 103473882) is 1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one.
What is the SMILES notation for 1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one?
The canonical SMILES for 1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one is CC(C)OCC(=O)COCC(F)(F)C(F)F.
What is the InChIKey of 1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one?
The InChIKey is LMWPEIYBKRHDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4O3/c1-6(2)16-4-7(14)3-15-5-9(12,13)8(10)11/h6,8H,3-5H2,1-2H3.
What are the key properties of 1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one?
1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one has a molecular weight of 246.20 g/mol, XLogP of 1.90, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one is sourced from PubChem (CID 103473882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).