1,1-difluoropropane

C3H6F2 — CID 12545136

IUPAC1,1-difluoropropane
SMILESCCC(F)F
InChIInChI=1S/C3H6F2/c1-2-3(4)5/h3H,2H2,1H3
InChIKeyCTJAKAQLCQKBTC-UHFFFAOYSA-N
MW80.08 g/mol
LogP1.66
Rot. Bonds1

About 1,1-difluoropropane

1,1-difluoropropane (PubChem CID 12545136) has the molecular formula C3H6F2 and a molecular weight of 80.08 g/mol. Its IUPAC name is 1,1-difluoropropane.

Molecular Properties

Compound Name1,1-difluoropropane
PubChem CID12545136
Molecular FormulaC3H6F2
Molecular Weight80.08 g/mol
Exact Mass80.04
IUPAC Name1,1-difluoropropane
SMILESCCC(F)F
InChIInChI=1S/C3H6F2/c1-2-3(4)5/h3H,2H2,1H3
InChIKeyCTJAKAQLCQKBTC-UHFFFAOYSA-N
XLogP1.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.08
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoropropane?
The IUPAC name of 1,1-difluoropropane (CID 12545136) is 1,1-difluoropropane.
What is the SMILES notation for 1,1-difluoropropane?
The canonical SMILES for 1,1-difluoropropane is CCC(F)F.
What is the InChIKey of 1,1-difluoropropane?
The InChIKey is CTJAKAQLCQKBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2/c1-2-3(4)5/h3H,2H2,1H3.
What are the key properties of 1,1-difluoropropane?
1,1-difluoropropane has a molecular weight of 80.08 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoropropane is sourced from PubChem (CID 12545136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).