3,3,4,4-tetrafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butan-1-ol

C6H5F9O2 — CID 131727974

IUPAC3,3,4,4-tetrafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butan-1-ol
SMILESOCCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C6H5F9O2/c7-3(8,1-2-16)5(12,13)17-6(14,15)4(9,10)11/h16H,1-2H2
InChIKeyBSNAJMJWVRNFHM-UHFFFAOYSA-N
MW280.09 g/mol
LogP2.77
Rot. Bonds5

About 3,3,4,4-tetrafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butan-1-ol

3,3,4,4-tetrafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butan-1-ol (PubChem CID 131727974) has the molecular formula C6H5F9O2 and a molecular weight of 280.09 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butan-1-ol.

Molecular Properties

Compound Name3,3,4,4-tetrafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butan-1-ol
PubChem CID131727974
Molecular FormulaC6H5F9O2
Molecular Weight280.09 g/mol
Exact Mass280.01
IUPAC Name3,3,4,4-tetrafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butan-1-ol
SMILESOCCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C6H5F9O2/c7-3(8,1-2-16)5(12,13)17-6(14,15)4(9,10)11/h16H,1-2H2
InChIKeyBSNAJMJWVRNFHM-UHFFFAOYSA-N
XLogP2.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.09
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butan-1-ol?
The IUPAC name of 3,3,4,4-tetrafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butan-1-ol (CID 131727974) is 3,3,4,4-tetrafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butan-1-ol.
What is the SMILES notation for 3,3,4,4-tetrafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butan-1-ol?
The canonical SMILES for 3,3,4,4-tetrafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butan-1-ol is OCCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4-tetrafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butan-1-ol?
The InChIKey is BSNAJMJWVRNFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F9O2/c7-3(8,1-2-16)5(12,13)17-6(14,15)4(9,10)11/h16H,1-2H2.
What are the key properties of 3,3,4,4-tetrafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butan-1-ol?
3,3,4,4-tetrafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butan-1-ol has a molecular weight of 280.09 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butan-1-ol is sourced from PubChem (CID 131727974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).