1,1,1,2-tetrafluoropropane

C3H4F4 — CID 12583891

IUPAC1,1,1,2-tetrafluoropropane
SMILESCC(F)C(F)(F)F
InChIInChI=1S/C3H4F4/c1-2(4)3(5,6)7/h2H,1H3
InChIKeyINEMUVRCEAELBK-UHFFFAOYSA-N
MW116.06 g/mol
LogP1.91
Rot. Bonds

About 1,1,1,2-tetrafluoropropane

1,1,1,2-tetrafluoropropane (PubChem CID 12583891) has the molecular formula C3H4F4 and a molecular weight of 116.06 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoropropane.

Molecular Properties

Compound Name1,1,1,2-tetrafluoropropane
PubChem CID12583891
Molecular FormulaC3H4F4
Molecular Weight116.06 g/mol
Exact Mass116.02
IUPAC Name1,1,1,2-tetrafluoropropane
SMILESCC(F)C(F)(F)F
InChIInChI=1S/C3H4F4/c1-2(4)3(5,6)7/h2H,1H3
InChIKeyINEMUVRCEAELBK-UHFFFAOYSA-N
XLogP1.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.06
LogP ≤ 51.91
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-tetrafluoropropane?
The IUPAC name of 1,1,1,2-tetrafluoropropane (CID 12583891) is 1,1,1,2-tetrafluoropropane.
What is the SMILES notation for 1,1,1,2-tetrafluoropropane?
The canonical SMILES for 1,1,1,2-tetrafluoropropane is CC(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrafluoropropane?
The InChIKey is INEMUVRCEAELBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F4/c1-2(4)3(5,6)7/h2H,1H3.
What are the key properties of 1,1,1,2-tetrafluoropropane?
1,1,1,2-tetrafluoropropane has a molecular weight of 116.06 g/mol, XLogP of 1.91, 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-tetrafluoropropane is sourced from PubChem (CID 12583891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).