1,2,2-trifluoro-1-(1,2,2-trifluoropropoxy)propane

C6H8F6O — CID 57242034

IUPAC1,2,2-trifluoro-1-(1,2,2-trifluoropropoxy)propane
SMILESCC(F)(F)C(F)OC(F)C(C)(F)F
InChIInChI=1S/C6H8F6O/c1-5(9,10)3(7)13-4(8)6(2,11)12/h3-4H,1-2H3
InChIKeyNQEIWHUXRQXRCB-UHFFFAOYSA-N
MW210.12 g/mol
LogP2.90
Rot. Bonds4

About 1,2,2-trifluoro-1-(1,2,2-trifluoropropoxy)propane

1,2,2-trifluoro-1-(1,2,2-trifluoropropoxy)propane (PubChem CID 57242034) has the molecular formula C6H8F6O and a molecular weight of 210.12 g/mol. Its IUPAC name is 1,2,2-trifluoro-1-(1,2,2-trifluoropropoxy)propane.

Molecular Properties

Compound Name1,2,2-trifluoro-1-(1,2,2-trifluoropropoxy)propane
PubChem CID57242034
Molecular FormulaC6H8F6O
Molecular Weight210.12 g/mol
Exact Mass210.05
IUPAC Name1,2,2-trifluoro-1-(1,2,2-trifluoropropoxy)propane
SMILESCC(F)(F)C(F)OC(F)C(C)(F)F
InChIInChI=1S/C6H8F6O/c1-5(9,10)3(7)13-4(8)6(2,11)12/h3-4H,1-2H3
InChIKeyNQEIWHUXRQXRCB-UHFFFAOYSA-N
XLogP2.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.12
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trifluoro-1-(1,2,2-trifluoropropoxy)propane?
The IUPAC name of 1,2,2-trifluoro-1-(1,2,2-trifluoropropoxy)propane (CID 57242034) is 1,2,2-trifluoro-1-(1,2,2-trifluoropropoxy)propane.
What is the SMILES notation for 1,2,2-trifluoro-1-(1,2,2-trifluoropropoxy)propane?
The canonical SMILES for 1,2,2-trifluoro-1-(1,2,2-trifluoropropoxy)propane is CC(F)(F)C(F)OC(F)C(C)(F)F.
What is the InChIKey of 1,2,2-trifluoro-1-(1,2,2-trifluoropropoxy)propane?
The InChIKey is NQEIWHUXRQXRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6O/c1-5(9,10)3(7)13-4(8)6(2,11)12/h3-4H,1-2H3.
What are the key properties of 1,2,2-trifluoro-1-(1,2,2-trifluoropropoxy)propane?
1,2,2-trifluoro-1-(1,2,2-trifluoropropoxy)propane has a molecular weight of 210.12 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluoro-1-(1,2,2-trifluoropropoxy)propane is sourced from PubChem (CID 57242034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).