1,1,1,2,2,3-hexafluoropropane;hydrate

C3H4F6O — CID 23202835

IUPAC1,1,1,2,2,3-hexafluoropropane;hydrate
SMILESFCC(F)(F)C(F)(F)F.O
InChIInChI=1S/C3H2F6.H2O/c4-1-2(5,6)3(7,8)9;/h1H2;1H2
InChIKeyBGPFIARYWXPKEN-UHFFFAOYSA-N
MW170.05 g/mol
LogP1.33
Rot. Bonds1

About 1,1,1,2,2,3-hexafluoropropane;hydrate

1,1,1,2,2,3-hexafluoropropane;hydrate (PubChem CID 23202835) has the molecular formula C3H4F6O and a molecular weight of 170.05 g/mol. Its IUPAC name is 1,1,1,2,2,3-hexafluoropropane;hydrate.

Molecular Properties

Compound Name1,1,1,2,2,3-hexafluoropropane;hydrate
PubChem CID23202835
Molecular FormulaC3H4F6O
Molecular Weight170.05 g/mol
Exact Mass170.02
IUPAC Name1,1,1,2,2,3-hexafluoropropane;hydrate
SMILESFCC(F)(F)C(F)(F)F.O
InChIInChI=1S/C3H2F6.H2O/c4-1-2(5,6)3(7,8)9;/h1H2;1H2
InChIKeyBGPFIARYWXPKEN-UHFFFAOYSA-N
XLogP1.33
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.05
LogP ≤ 51.33
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-hexafluoropropane;hydrate?
The IUPAC name of 1,1,1,2,2,3-hexafluoropropane;hydrate (CID 23202835) is 1,1,1,2,2,3-hexafluoropropane;hydrate.
What is the SMILES notation for 1,1,1,2,2,3-hexafluoropropane;hydrate?
The canonical SMILES for 1,1,1,2,2,3-hexafluoropropane;hydrate is FCC(F)(F)C(F)(F)F.O.
What is the InChIKey of 1,1,1,2,2,3-hexafluoropropane;hydrate?
The InChIKey is BGPFIARYWXPKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6.H2O/c4-1-2(5,6)3(7,8)9;/h1H2;1H2.
What are the key properties of 1,1,1,2,2,3-hexafluoropropane;hydrate?
1,1,1,2,2,3-hexafluoropropane;hydrate has a molecular weight of 170.05 g/mol, XLogP of 1.33, 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-hexafluoropropane;hydrate is sourced from PubChem (CID 23202835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).