2,2-difluoropropane;formic acid

C4H8F2O2 — CID 160803691

IUPAC2,2-difluoropropane;formic acid
SMILESCC(C)(F)F.O=CO
InChIInChI=1S/C3H6F2.CH2O2/c1-3(2,4)5;2-1-3/h1-2H3;1H,(H,2,3)
InChIKeySDKIKHXFSNVMPZ-UHFFFAOYSA-N
MW126.10 g/mol
LogP1.36
Rot. Bonds

About 2,2-difluoropropane;formic acid

2,2-difluoropropane;formic acid (PubChem CID 160803691) has the molecular formula C4H8F2O2 and a molecular weight of 126.10 g/mol. Its IUPAC name is 2,2-difluoropropane;formic acid.

Molecular Properties

Compound Name2,2-difluoropropane;formic acid
PubChem CID160803691
Molecular FormulaC4H8F2O2
Molecular Weight126.10 g/mol
Exact Mass126.05
IUPAC Name2,2-difluoropropane;formic acid
SMILESCC(C)(F)F.O=CO
InChIInChI=1S/C3H6F2.CH2O2/c1-3(2,4)5;2-1-3/h1-2H3;1H,(H,2,3)
InChIKeySDKIKHXFSNVMPZ-UHFFFAOYSA-N
XLogP1.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.10
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropane;formic acid?
The IUPAC name of 2,2-difluoropropane;formic acid (CID 160803691) is 2,2-difluoropropane;formic acid.
What is the SMILES notation for 2,2-difluoropropane;formic acid?
The canonical SMILES for 2,2-difluoropropane;formic acid is CC(C)(F)F.O=CO.
What is the InChIKey of 2,2-difluoropropane;formic acid?
The InChIKey is SDKIKHXFSNVMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2.CH2O2/c1-3(2,4)5;2-1-3/h1-2H3;1H,(H,2,3).
What are the key properties of 2,2-difluoropropane;formic acid?
2,2-difluoropropane;formic acid has a molecular weight of 126.10 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropane;formic acid is sourced from PubChem (CID 160803691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).