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

C9H16F4O3 — CID 103473992

IUPAC1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
SMILESCC(C)OCC(O)COCC(F)(F)C(F)F
InChIInChI=1S/C9H16F4O3/c1-6(2)16-4-7(14)3-15-5-9(12,13)8(10)11/h6-8,14H,3-5H2,1-2H3
InChIKeyVKKQCAVEAGBCLN-UHFFFAOYSA-N
MW248.22 g/mol
LogP1.69
Rot. Bonds8

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

1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol (PubChem CID 103473992) has the molecular formula C9H16F4O3 and a molecular weight of 248.22 g/mol. Its IUPAC name is 1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol.

Molecular Properties

Compound Name1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
PubChem CID103473992
Molecular FormulaC9H16F4O3
Molecular Weight248.22 g/mol
Exact Mass248.10
IUPAC Name1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
SMILESCC(C)OCC(O)COCC(F)(F)C(F)F
InChIInChI=1S/C9H16F4O3/c1-6(2)16-4-7(14)3-15-5-9(12,13)8(10)11/h6-8,14H,3-5H2,1-2H3
InChIKeyVKKQCAVEAGBCLN-UHFFFAOYSA-N
XLogP1.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-ol
CID 103474135
1-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-methylamino]ethyl-methylamino]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 118376151
1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103473987
1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
CID 103473882
(2R)-1-[4-[(2R)-butan-2-yl]phenoxy]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 93492444
1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-ol
CID 103474003
(2R)-1-fluoro-3-propan-2-yloxypropan-2-ol
CID 158358225
1-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474078
1-(2,2-difluoroethoxy)-3-(2,2-difluoro-2-hydroxyethoxy)propan-2-ol
CID 154623548
2-ethoxy-3-(2,2,3,3-tetrafluoropropoxy)propanoic acid
CID 63073619
1-(2,5-dimethylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474191
1-propoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475048

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The IUPAC name of 1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol (CID 103473992) is 1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol.
What is the SMILES notation for 1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The canonical SMILES for 1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol 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-ol?
The InChIKey is VKKQCAVEAGBCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F4O3/c1-6(2)16-4-7(14)3-15-5-9(12,13)8(10)11/h6-8,14H,3-5H2,1-2H3.
What are the key properties of 1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol has a molecular weight of 248.22 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 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-ol is sourced from PubChem (CID 103473992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).