4-(difluoromethoxy)-1,1,1,2,2,3,3-heptafluorobutane

C5H3F9O — CID 19063484

IUPAC4-(difluoromethoxy)-1,1,1,2,2,3,3-heptafluorobutane
SMILESFC(F)OCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F9O/c6-2(7)15-1-3(8,9)4(10,11)5(12,13)14/h2H,1H2
InChIKeyQDWBWHGTTUZIIT-UHFFFAOYSA-N
MW250.06 g/mol
LogP3.06
Rot. Bonds4

About 4-(difluoromethoxy)-1,1,1,2,2,3,3-heptafluorobutane

4-(difluoromethoxy)-1,1,1,2,2,3,3-heptafluorobutane (PubChem CID 19063484) has the molecular formula C5H3F9O and a molecular weight of 250.06 g/mol. Its IUPAC name is 4-(difluoromethoxy)-1,1,1,2,2,3,3-heptafluorobutane.

Molecular Properties

Compound Name4-(difluoromethoxy)-1,1,1,2,2,3,3-heptafluorobutane
PubChem CID19063484
Molecular FormulaC5H3F9O
Molecular Weight250.06 g/mol
Exact Mass250.00
IUPAC Name4-(difluoromethoxy)-1,1,1,2,2,3,3-heptafluorobutane
SMILESFC(F)OCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F9O/c6-2(7)15-1-3(8,9)4(10,11)5(12,13)14/h2H,1H2
InChIKeyQDWBWHGTTUZIIT-UHFFFAOYSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.06
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-(difluoromethoxy)-1,1,1,2,2,3,3-heptafluorobutane?
The IUPAC name of 4-(difluoromethoxy)-1,1,1,2,2,3,3-heptafluorobutane (CID 19063484) is 4-(difluoromethoxy)-1,1,1,2,2,3,3-heptafluorobutane.
What is the SMILES notation for 4-(difluoromethoxy)-1,1,1,2,2,3,3-heptafluorobutane?
The canonical SMILES for 4-(difluoromethoxy)-1,1,1,2,2,3,3-heptafluorobutane is FC(F)OCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4-(difluoromethoxy)-1,1,1,2,2,3,3-heptafluorobutane?
The InChIKey is QDWBWHGTTUZIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F9O/c6-2(7)15-1-3(8,9)4(10,11)5(12,13)14/h2H,1H2.
What are the key properties of 4-(difluoromethoxy)-1,1,1,2,2,3,3-heptafluorobutane?
4-(difluoromethoxy)-1,1,1,2,2,3,3-heptafluorobutane has a molecular weight of 250.06 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-1,1,1,2,2,3,3-heptafluorobutane is sourced from PubChem (CID 19063484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).