1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethoxy]butane

C9H16F4O2 — CID 95757070

IUPAC1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethoxy]butane
SMILESCCCCO[C@H](C)OCC(F)(F)C(F)F
InChIInChI=1S/C9H16F4O2/c1-3-4-5-14-7(2)15-6-9(12,13)8(10)11/h7-8H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyUFSXRGGZOLVUPF-ZETCQYMHSA-N
MW232.22 g/mol
LogP3.07
Rot. Bonds8

About 1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethoxy]butane

1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethoxy]butane (PubChem CID 95757070) has the molecular formula C9H16F4O2 and a molecular weight of 232.22 g/mol. Its IUPAC name is 1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethoxy]butane.

Molecular Properties

Compound Name1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethoxy]butane
PubChem CID95757070
Molecular FormulaC9H16F4O2
Molecular Weight232.22 g/mol
Exact Mass232.11
IUPAC Name1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethoxy]butane
SMILESCCCCO[C@H](C)OCC(F)(F)C(F)F
InChIInChI=1S/C9H16F4O2/c1-3-4-5-14-7(2)15-6-9(12,13)8(10)11/h7-8H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyUFSXRGGZOLVUPF-ZETCQYMHSA-N
XLogP3.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethoxy]butane?
The IUPAC name of 1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethoxy]butane (CID 95757070) is 1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethoxy]butane.
What is the SMILES notation for 1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethoxy]butane?
The canonical SMILES for 1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethoxy]butane is CCCCO[C@H](C)OCC(F)(F)C(F)F.
What is the InChIKey of 1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethoxy]butane?
The InChIKey is UFSXRGGZOLVUPF-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16F4O2/c1-3-4-5-14-7(2)15-6-9(12,13)8(10)11/h7-8H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of 1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethoxy]butane?
1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethoxy]butane has a molecular weight of 232.22 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethoxy]butane is sourced from PubChem (CID 95757070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).