(1S)-1,2,2-trifluoro-1-[(1R)-1,2,2-trifluoropropoxy]propane

C6H8F6O — CID 10943740

IUPAC(1S)-1,2,2-trifluoro-1-[(1R)-1,2,2-trifluoropropoxy]propane
SMILESCC(F)(F)[C@H](F)O[C@H](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/t3-,4+
InChIKeyNQEIWHUXRQXRCB-ZXZARUISSA-N
MW210.12 g/mol
LogP2.90
Rot. Bonds4

About (1S)-1,2,2-trifluoro-1-[(1R)-1,2,2-trifluoropropoxy]propane

(1S)-1,2,2-trifluoro-1-[(1R)-1,2,2-trifluoropropoxy]propane (PubChem CID 10943740) has the molecular formula C6H8F6O and a molecular weight of 210.12 g/mol. Its IUPAC name is (1S)-1,2,2-trifluoro-1-[(1R)-1,2,2-trifluoropropoxy]propane.

Molecular Properties

Compound Name(1S)-1,2,2-trifluoro-1-[(1R)-1,2,2-trifluoropropoxy]propane
PubChem CID10943740
Molecular FormulaC6H8F6O
Molecular Weight210.12 g/mol
Exact Mass210.05
IUPAC Name(1S)-1,2,2-trifluoro-1-[(1R)-1,2,2-trifluoropropoxy]propane
SMILESCC(F)(F)[C@H](F)O[C@H](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/t3-,4+
InChIKeyNQEIWHUXRQXRCB-ZXZARUISSA-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 (1S)-1,2,2-trifluoro-1-[(1R)-1,2,2-trifluoropropoxy]propane?
The IUPAC name of (1S)-1,2,2-trifluoro-1-[(1R)-1,2,2-trifluoropropoxy]propane (CID 10943740) is (1S)-1,2,2-trifluoro-1-[(1R)-1,2,2-trifluoropropoxy]propane.
What is the SMILES notation for (1S)-1,2,2-trifluoro-1-[(1R)-1,2,2-trifluoropropoxy]propane?
The canonical SMILES for (1S)-1,2,2-trifluoro-1-[(1R)-1,2,2-trifluoropropoxy]propane is CC(F)(F)[C@H](F)O[C@H](F)C(C)(F)F.
What is the InChIKey of (1S)-1,2,2-trifluoro-1-[(1R)-1,2,2-trifluoropropoxy]propane?
The InChIKey is NQEIWHUXRQXRCB-ZXZARUISSA-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/t3-,4+.
What are the key properties of (1S)-1,2,2-trifluoro-1-[(1R)-1,2,2-trifluoropropoxy]propane?
(1S)-1,2,2-trifluoro-1-[(1R)-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 (1S)-1,2,2-trifluoro-1-[(1R)-1,2,2-trifluoropropoxy]propane is sourced from PubChem (CID 10943740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).