1,1,1-trifluoro-2-(1,1,1-trifluoropropan-2-yloxy)propane

C6H8F6O — CID 18446147

IUPAC1,1,1-trifluoro-2-(1,1,1-trifluoropropan-2-yloxy)propane
SMILESCC(OC(C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6O/c1-3(5(7,8)9)13-4(2)6(10,11)12/h3-4H,1-2H3
InChIKeySFGZVCSNIFTVNN-UHFFFAOYSA-N
MW210.12 g/mol
LogP2.90
Rot. Bonds2

About 1,1,1-trifluoro-2-(1,1,1-trifluoropropan-2-yloxy)propane

1,1,1-trifluoro-2-(1,1,1-trifluoropropan-2-yloxy)propane (PubChem CID 18446147) has the molecular formula C6H8F6O and a molecular weight of 210.12 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(1,1,1-trifluoropropan-2-yloxy)propane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(1,1,1-trifluoropropan-2-yloxy)propane
PubChem CID18446147
Molecular FormulaC6H8F6O
Molecular Weight210.12 g/mol
Exact Mass210.05
IUPAC Name1,1,1-trifluoro-2-(1,1,1-trifluoropropan-2-yloxy)propane
SMILESCC(OC(C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6O/c1-3(5(7,8)9)13-4(2)6(10,11)12/h3-4H,1-2H3
InChIKeySFGZVCSNIFTVNN-UHFFFAOYSA-N
XLogP2.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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 1,1,1-trifluoro-2-(1,1,1-trifluoropropan-2-yloxy)propane?
The IUPAC name of 1,1,1-trifluoro-2-(1,1,1-trifluoropropan-2-yloxy)propane (CID 18446147) is 1,1,1-trifluoro-2-(1,1,1-trifluoropropan-2-yloxy)propane.
What is the SMILES notation for 1,1,1-trifluoro-2-(1,1,1-trifluoropropan-2-yloxy)propane?
The canonical SMILES for 1,1,1-trifluoro-2-(1,1,1-trifluoropropan-2-yloxy)propane is CC(OC(C)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(1,1,1-trifluoropropan-2-yloxy)propane?
The InChIKey is SFGZVCSNIFTVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6O/c1-3(5(7,8)9)13-4(2)6(10,11)12/h3-4H,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(1,1,1-trifluoropropan-2-yloxy)propane?
1,1,1-trifluoro-2-(1,1,1-trifluoropropan-2-yloxy)propane has a molecular weight of 210.12 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(1,1,1-trifluoropropan-2-yloxy)propane is sourced from PubChem (CID 18446147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).