2,3,3-trifluoro-3-[2-fluoro-1-(trifluoromethoxy)propan-2-yl]oxyprop-1-ene

C7H7F7O2 — CID 91270608

IUPAC2,3,3-trifluoro-3-[2-fluoro-1-(trifluoromethoxy)propan-2-yl]oxyprop-1-ene
SMILESC=C(F)C(F)(F)OC(C)(F)COC(F)(F)F
InChIInChI=1S/C7H7F7O2/c1-4(8)6(10,11)16-5(2,9)3-15-7(12,13)14/h1,3H2,2H3
InChIKeyQNHYPYRMLDIBTI-UHFFFAOYSA-N
MW256.12 g/mol
LogP3.30
Rot. Bonds5

About 2,3,3-trifluoro-3-[2-fluoro-1-(trifluoromethoxy)propan-2-yl]oxyprop-1-ene

2,3,3-trifluoro-3-[2-fluoro-1-(trifluoromethoxy)propan-2-yl]oxyprop-1-ene (PubChem CID 91270608) has the molecular formula C7H7F7O2 and a molecular weight of 256.12 g/mol. Its IUPAC name is 2,3,3-trifluoro-3-[2-fluoro-1-(trifluoromethoxy)propan-2-yl]oxyprop-1-ene.

Molecular Properties

Compound Name2,3,3-trifluoro-3-[2-fluoro-1-(trifluoromethoxy)propan-2-yl]oxyprop-1-ene
PubChem CID91270608
Molecular FormulaC7H7F7O2
Molecular Weight256.12 g/mol
Exact Mass256.03
IUPAC Name2,3,3-trifluoro-3-[2-fluoro-1-(trifluoromethoxy)propan-2-yl]oxyprop-1-ene
SMILESC=C(F)C(F)(F)OC(C)(F)COC(F)(F)F
InChIInChI=1S/C7H7F7O2/c1-4(8)6(10,11)16-5(2,9)3-15-7(12,13)14/h1,3H2,2H3
InChIKeyQNHYPYRMLDIBTI-UHFFFAOYSA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trifluoro-3-[2-fluoro-1-(trifluoromethoxy)propan-2-yl]oxyprop-1-ene?
The IUPAC name of 2,3,3-trifluoro-3-[2-fluoro-1-(trifluoromethoxy)propan-2-yl]oxyprop-1-ene (CID 91270608) is 2,3,3-trifluoro-3-[2-fluoro-1-(trifluoromethoxy)propan-2-yl]oxyprop-1-ene.
What is the SMILES notation for 2,3,3-trifluoro-3-[2-fluoro-1-(trifluoromethoxy)propan-2-yl]oxyprop-1-ene?
The canonical SMILES for 2,3,3-trifluoro-3-[2-fluoro-1-(trifluoromethoxy)propan-2-yl]oxyprop-1-ene is C=C(F)C(F)(F)OC(C)(F)COC(F)(F)F.
What is the InChIKey of 2,3,3-trifluoro-3-[2-fluoro-1-(trifluoromethoxy)propan-2-yl]oxyprop-1-ene?
The InChIKey is QNHYPYRMLDIBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F7O2/c1-4(8)6(10,11)16-5(2,9)3-15-7(12,13)14/h1,3H2,2H3.
What are the key properties of 2,3,3-trifluoro-3-[2-fluoro-1-(trifluoromethoxy)propan-2-yl]oxyprop-1-ene?
2,3,3-trifluoro-3-[2-fluoro-1-(trifluoromethoxy)propan-2-yl]oxyprop-1-ene has a molecular weight of 256.12 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trifluoro-3-[2-fluoro-1-(trifluoromethoxy)propan-2-yl]oxyprop-1-ene is sourced from PubChem (CID 91270608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).