1-(2,2,3,3,3-pentafluoropropoxy)butane

C7H11F5O — CID 18345763

IUPAC1-(2,2,3,3,3-pentafluoropropoxy)butane
SMILESCCCCOCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H11F5O/c1-2-3-4-13-5-6(8,9)7(10,11)12/h2-5H2,1H3
InChIKeyBENQOTDOEGONDR-UHFFFAOYSA-N
MW206.15 g/mol
LogP3.00
Rot. Bonds5

About 1-(2,2,3,3,3-pentafluoropropoxy)butane

1-(2,2,3,3,3-pentafluoropropoxy)butane (PubChem CID 18345763) has the molecular formula C7H11F5O and a molecular weight of 206.15 g/mol. Its IUPAC name is 1-(2,2,3,3,3-pentafluoropropoxy)butane.

Molecular Properties

Compound Name1-(2,2,3,3,3-pentafluoropropoxy)butane
PubChem CID18345763
Molecular FormulaC7H11F5O
Molecular Weight206.15 g/mol
Exact Mass206.07
IUPAC Name1-(2,2,3,3,3-pentafluoropropoxy)butane
SMILESCCCCOCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H11F5O/c1-2-3-4-13-5-6(8,9)7(10,11)12/h2-5H2,1H3
InChIKeyBENQOTDOEGONDR-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3,3-pentafluoropropoxy)butane?
The IUPAC name of 1-(2,2,3,3,3-pentafluoropropoxy)butane (CID 18345763) is 1-(2,2,3,3,3-pentafluoropropoxy)butane.
What is the SMILES notation for 1-(2,2,3,3,3-pentafluoropropoxy)butane?
The canonical SMILES for 1-(2,2,3,3,3-pentafluoropropoxy)butane is CCCCOCC(F)(F)C(F)(F)F.
What is the InChIKey of 1-(2,2,3,3,3-pentafluoropropoxy)butane?
The InChIKey is BENQOTDOEGONDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F5O/c1-2-3-4-13-5-6(8,9)7(10,11)12/h2-5H2,1H3.
What are the key properties of 1-(2,2,3,3,3-pentafluoropropoxy)butane?
1-(2,2,3,3,3-pentafluoropropoxy)butane has a molecular weight of 206.15 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3,3-pentafluoropropoxy)butane is sourced from PubChem (CID 18345763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).