1-(difluoromethoxy)-1,1,3,3,3-pentafluoropropane

C4H3F7O — CID 87502285

IUPAC1-(difluoromethoxy)-1,1,3,3,3-pentafluoropropane
SMILESFC(F)OC(F)(F)CC(F)(F)F
InChIInChI=1S/C4H3F7O/c5-2(6)12-4(10,11)1-3(7,8)9/h2H,1H2
InChIKeyAOGHNWIYYXQPIS-UHFFFAOYSA-N
MW200.05 g/mol
LogP2.77
Rot. Bonds3

About 1-(difluoromethoxy)-1,1,3,3,3-pentafluoropropane

1-(difluoromethoxy)-1,1,3,3,3-pentafluoropropane (PubChem CID 87502285) has the molecular formula C4H3F7O and a molecular weight of 200.05 g/mol. Its IUPAC name is 1-(difluoromethoxy)-1,1,3,3,3-pentafluoropropane.

Molecular Properties

Compound Name1-(difluoromethoxy)-1,1,3,3,3-pentafluoropropane
PubChem CID87502285
Molecular FormulaC4H3F7O
Molecular Weight200.05 g/mol
Exact Mass200.01
IUPAC Name1-(difluoromethoxy)-1,1,3,3,3-pentafluoropropane
SMILESFC(F)OC(F)(F)CC(F)(F)F
InChIInChI=1S/C4H3F7O/c5-2(6)12-4(10,11)1-3(7,8)9/h2H,1H2
InChIKeyAOGHNWIYYXQPIS-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.05
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-1,1,3,3,3-pentafluoropropane?
The IUPAC name of 1-(difluoromethoxy)-1,1,3,3,3-pentafluoropropane (CID 87502285) is 1-(difluoromethoxy)-1,1,3,3,3-pentafluoropropane.
What is the SMILES notation for 1-(difluoromethoxy)-1,1,3,3,3-pentafluoropropane?
The canonical SMILES for 1-(difluoromethoxy)-1,1,3,3,3-pentafluoropropane is FC(F)OC(F)(F)CC(F)(F)F.
What is the InChIKey of 1-(difluoromethoxy)-1,1,3,3,3-pentafluoropropane?
The InChIKey is AOGHNWIYYXQPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F7O/c5-2(6)12-4(10,11)1-3(7,8)9/h2H,1H2.
What are the key properties of 1-(difluoromethoxy)-1,1,3,3,3-pentafluoropropane?
1-(difluoromethoxy)-1,1,3,3,3-pentafluoropropane has a molecular weight of 200.05 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-1,1,3,3,3-pentafluoropropane is sourced from PubChem (CID 87502285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).