3-(2,2-difluoropropoxy)-1,1,1,2,3-pentafluoropropane

C6H7F7O — CID 58114504

IUPAC3-(2,2-difluoropropoxy)-1,1,1,2,3-pentafluoropropane
SMILESCC(F)(F)COC(F)C(F)C(F)(F)F
InChIInChI=1S/C6H7F7O/c1-5(9,10)2-14-4(8)3(7)6(11,12)13/h3-4H,2H2,1H3
InChIKeyYWHVPKIYBNFGPY-UHFFFAOYSA-N
MW228.11 g/mol
LogP2.85
Rot. Bonds4

About 3-(2,2-difluoropropoxy)-1,1,1,2,3-pentafluoropropane

3-(2,2-difluoropropoxy)-1,1,1,2,3-pentafluoropropane (PubChem CID 58114504) has the molecular formula C6H7F7O and a molecular weight of 228.11 g/mol. Its IUPAC name is 3-(2,2-difluoropropoxy)-1,1,1,2,3-pentafluoropropane.

Molecular Properties

Compound Name3-(2,2-difluoropropoxy)-1,1,1,2,3-pentafluoropropane
PubChem CID58114504
Molecular FormulaC6H7F7O
Molecular Weight228.11 g/mol
Exact Mass228.04
IUPAC Name3-(2,2-difluoropropoxy)-1,1,1,2,3-pentafluoropropane
SMILESCC(F)(F)COC(F)C(F)C(F)(F)F
InChIInChI=1S/C6H7F7O/c1-5(9,10)2-14-4(8)3(7)6(11,12)13/h3-4H,2H2,1H3
InChIKeyYWHVPKIYBNFGPY-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.11
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoropropoxy)-1,1,1,2,3-pentafluoropropane?
The IUPAC name of 3-(2,2-difluoropropoxy)-1,1,1,2,3-pentafluoropropane (CID 58114504) is 3-(2,2-difluoropropoxy)-1,1,1,2,3-pentafluoropropane.
What is the SMILES notation for 3-(2,2-difluoropropoxy)-1,1,1,2,3-pentafluoropropane?
The canonical SMILES for 3-(2,2-difluoropropoxy)-1,1,1,2,3-pentafluoropropane is CC(F)(F)COC(F)C(F)C(F)(F)F.
What is the InChIKey of 3-(2,2-difluoropropoxy)-1,1,1,2,3-pentafluoropropane?
The InChIKey is YWHVPKIYBNFGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F7O/c1-5(9,10)2-14-4(8)3(7)6(11,12)13/h3-4H,2H2,1H3.
What are the key properties of 3-(2,2-difluoropropoxy)-1,1,1,2,3-pentafluoropropane?
3-(2,2-difluoropropoxy)-1,1,1,2,3-pentafluoropropane has a molecular weight of 228.11 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoropropoxy)-1,1,1,2,3-pentafluoropropane is sourced from PubChem (CID 58114504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).