1,1,1,2,2,3,3-heptafluorobutane

C4H3F7 — CID 14936894

IUPAC1,1,1,2,2,3,3-heptafluorobutane
SMILESCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H3F7/c1-2(5,6)3(7,8)4(9,10)11/h1H3
InChIKeyDUAKCVSNUIDZMC-UHFFFAOYSA-N
MW184.05 g/mol
LogP2.84
Rot. Bonds1

About 1,1,1,2,2,3,3-heptafluorobutane

1,1,1,2,2,3,3-heptafluorobutane (PubChem CID 14936894) has the molecular formula C4H3F7 and a molecular weight of 184.05 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluorobutane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluorobutane
PubChem CID14936894
Molecular FormulaC4H3F7
Molecular Weight184.05 g/mol
Exact Mass184.01
IUPAC Name1,1,1,2,2,3,3-heptafluorobutane
SMILESCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H3F7/c1-2(5,6)3(7,8)4(9,10)11/h1H3
InChIKeyDUAKCVSNUIDZMC-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.05
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,1,1,2,2,3,3-heptafluorobutane?
The IUPAC name of 1,1,1,2,2,3,3-heptafluorobutane (CID 14936894) is 1,1,1,2,2,3,3-heptafluorobutane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluorobutane?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluorobutane is CC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluorobutane?
The InChIKey is DUAKCVSNUIDZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F7/c1-2(5,6)3(7,8)4(9,10)11/h1H3.
What are the key properties of 1,1,1,2,2,3,3-heptafluorobutane?
1,1,1,2,2,3,3-heptafluorobutane has a molecular weight of 184.05 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3-heptafluorobutane is sourced from PubChem (CID 14936894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).