1,1,1,2-tetrafluoroethane;hydrate

C2H4F4O — CID 87179187

IUPAC1,1,1,2-tetrafluoroethane;hydrate
SMILESFCC(F)(F)F.O
InChIInChI=1S/C2H2F4.H2O/c3-1-2(4,5)6;/h1H2;1H2
InChIKeyWEYYVQDGMOGCMG-UHFFFAOYSA-N
MW120.05 g/mol
LogP0.69
Rot. Bonds

About 1,1,1,2-tetrafluoroethane;hydrate

1,1,1,2-tetrafluoroethane;hydrate (PubChem CID 87179187) has the molecular formula C2H4F4O and a molecular weight of 120.05 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoroethane;hydrate.

Molecular Properties

Compound Name1,1,1,2-tetrafluoroethane;hydrate
PubChem CID87179187
Molecular FormulaC2H4F4O
Molecular Weight120.05 g/mol
Exact Mass120.02
IUPAC Name1,1,1,2-tetrafluoroethane;hydrate
SMILESFCC(F)(F)F.O
InChIInChI=1S/C2H2F4.H2O/c3-1-2(4,5)6;/h1H2;1H2
InChIKeyWEYYVQDGMOGCMG-UHFFFAOYSA-N
XLogP0.69
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.05
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluoroethane;hydrate?
The IUPAC name of 1,1,1,2-tetrafluoroethane;hydrate (CID 87179187) is 1,1,1,2-tetrafluoroethane;hydrate.
What is the SMILES notation for 1,1,1,2-tetrafluoroethane;hydrate?
The canonical SMILES for 1,1,1,2-tetrafluoroethane;hydrate is FCC(F)(F)F.O.
What is the InChIKey of 1,1,1,2-tetrafluoroethane;hydrate?
The InChIKey is WEYYVQDGMOGCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F4.H2O/c3-1-2(4,5)6;/h1H2;1H2.
What are the key properties of 1,1,1,2-tetrafluoroethane;hydrate?
1,1,1,2-tetrafluoroethane;hydrate has a molecular weight of 120.05 g/mol, XLogP of 0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluoroethane;hydrate is sourced from PubChem (CID 87179187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).