1,1,1,2,2,3,3-heptafluoropropane;hydrochloride

C3H2ClF7 — CID 158268992

IUPAC1,1,1,2,2,3,3-heptafluoropropane;hydrochloride
SMILESCl.FC(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C3HF7.ClH/c4-1(5)2(6,7)3(8,9)10;/h1H;1H
InChIKeyGBOTWUMDBSXPIY-UHFFFAOYSA-N
MW206.49 g/mol
LogP2.87
Rot. Bonds1

About 1,1,1,2,2,3,3-heptafluoropropane;hydrochloride

1,1,1,2,2,3,3-heptafluoropropane;hydrochloride (PubChem CID 158268992) has the molecular formula C3H2ClF7 and a molecular weight of 206.49 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoropropane;hydrochloride.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoropropane;hydrochloride
PubChem CID158268992
Molecular FormulaC3H2ClF7
Molecular Weight206.49 g/mol
Exact Mass205.97
IUPAC Name1,1,1,2,2,3,3-heptafluoropropane;hydrochloride
SMILESCl.FC(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C3HF7.ClH/c4-1(5)2(6,7)3(8,9)10;/h1H;1H
InChIKeyGBOTWUMDBSXPIY-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.49
LogP ≤ 52.87
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-heptafluoropropane;hydrochloride?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoropropane;hydrochloride (CID 158268992) is 1,1,1,2,2,3,3-heptafluoropropane;hydrochloride.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoropropane;hydrochloride?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoropropane;hydrochloride is Cl.FC(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoropropane;hydrochloride?
The InChIKey is GBOTWUMDBSXPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF7.ClH/c4-1(5)2(6,7)3(8,9)10;/h1H;1H.
What are the key properties of 1,1,1,2,2,3,3-heptafluoropropane;hydrochloride?
1,1,1,2,2,3,3-heptafluoropropane;hydrochloride has a molecular weight of 206.49 g/mol, XLogP of 2.87, 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-heptafluoropropane;hydrochloride is sourced from PubChem (CID 158268992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).