3,3,4,4-tetrafluoro-4-[1,1,2-trifluoro-1-(1-fluoroethenoxy)but-3-en-2-yl]oxybutan-2-ol

C10H10F8O3 — CID 90770114

IUPAC3,3,4,4-tetrafluoro-4-[1,1,2-trifluoro-1-(1-fluoroethenoxy)but-3-en-2-yl]oxybutan-2-ol
SMILESC=CC(F)(OC(F)(F)C(F)(F)C(C)O)C(F)(F)OC(=C)F
InChIInChI=1S/C10H10F8O3/c1-4-7(12,9(15,16)20-6(3)11)21-10(17,18)8(13,14)5(2)19/h4-5,19H,1,3H2,2H3
InChIKeyQPHCZVNZZJEOHA-UHFFFAOYSA-N
MW330.17 g/mol
LogP3.51
Rot. Bonds8

About 3,3,4,4-tetrafluoro-4-[1,1,2-trifluoro-1-(1-fluoroethenoxy)but-3-en-2-yl]oxybutan-2-ol

3,3,4,4-tetrafluoro-4-[1,1,2-trifluoro-1-(1-fluoroethenoxy)but-3-en-2-yl]oxybutan-2-ol (PubChem CID 90770114) has the molecular formula C10H10F8O3 and a molecular weight of 330.17 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoro-4-[1,1,2-trifluoro-1-(1-fluoroethenoxy)but-3-en-2-yl]oxybutan-2-ol.

Molecular Properties

Compound Name3,3,4,4-tetrafluoro-4-[1,1,2-trifluoro-1-(1-fluoroethenoxy)but-3-en-2-yl]oxybutan-2-ol
PubChem CID90770114
Molecular FormulaC10H10F8O3
Molecular Weight330.17 g/mol
Exact Mass330.05
IUPAC Name3,3,4,4-tetrafluoro-4-[1,1,2-trifluoro-1-(1-fluoroethenoxy)but-3-en-2-yl]oxybutan-2-ol
SMILESC=CC(F)(OC(F)(F)C(F)(F)C(C)O)C(F)(F)OC(=C)F
InChIInChI=1S/C10H10F8O3/c1-4-7(12,9(15,16)20-6(3)11)21-10(17,18)8(13,14)5(2)19/h4-5,19H,1,3H2,2H3
InChIKeyQPHCZVNZZJEOHA-UHFFFAOYSA-N
XLogP3.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-Propan-2-yloxy-2-(trifluoromethyl)but-3-en-1-ol
CID 171417855

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluoro-4-[1,1,2-trifluoro-1-(1-fluoroethenoxy)but-3-en-2-yl]oxybutan-2-ol?
The IUPAC name of 3,3,4,4-tetrafluoro-4-[1,1,2-trifluoro-1-(1-fluoroethenoxy)but-3-en-2-yl]oxybutan-2-ol (CID 90770114) is 3,3,4,4-tetrafluoro-4-[1,1,2-trifluoro-1-(1-fluoroethenoxy)but-3-en-2-yl]oxybutan-2-ol.
What is the SMILES notation for 3,3,4,4-tetrafluoro-4-[1,1,2-trifluoro-1-(1-fluoroethenoxy)but-3-en-2-yl]oxybutan-2-ol?
The canonical SMILES for 3,3,4,4-tetrafluoro-4-[1,1,2-trifluoro-1-(1-fluoroethenoxy)but-3-en-2-yl]oxybutan-2-ol is C=CC(F)(OC(F)(F)C(F)(F)C(C)O)C(F)(F)OC(=C)F.
What is the InChIKey of 3,3,4,4-tetrafluoro-4-[1,1,2-trifluoro-1-(1-fluoroethenoxy)but-3-en-2-yl]oxybutan-2-ol?
The InChIKey is QPHCZVNZZJEOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F8O3/c1-4-7(12,9(15,16)20-6(3)11)21-10(17,18)8(13,14)5(2)19/h4-5,19H,1,3H2,2H3.
What are the key properties of 3,3,4,4-tetrafluoro-4-[1,1,2-trifluoro-1-(1-fluoroethenoxy)but-3-en-2-yl]oxybutan-2-ol?
3,3,4,4-tetrafluoro-4-[1,1,2-trifluoro-1-(1-fluoroethenoxy)but-3-en-2-yl]oxybutan-2-ol has a molecular weight of 330.17 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrafluoro-4-[1,1,2-trifluoro-1-(1-fluoroethenoxy)but-3-en-2-yl]oxybutan-2-ol is sourced from PubChem (CID 90770114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).