1,2,2-trifluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanol

C5H2F10O2 — CID 123290710

IUPAC1,2,2-trifluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanol
SMILESOC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)F
InChIInChI=1S/C5H2F10O2/c6-1(7)2(8,16)17-5(14,15)3(9,10)4(11,12)13/h1,16H
InChIKeyIGNNTGUHTMDCKR-UHFFFAOYSA-N
MW284.05 g/mol
LogP2.67
Rot. Bonds4

About 1,2,2-trifluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanol

1,2,2-trifluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanol (PubChem CID 123290710) has the molecular formula C5H2F10O2 and a molecular weight of 284.05 g/mol. Its IUPAC name is 1,2,2-trifluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanol.

Molecular Properties

Compound Name1,2,2-trifluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanol
PubChem CID123290710
Molecular FormulaC5H2F10O2
Molecular Weight284.05 g/mol
Exact Mass283.99
IUPAC Name1,2,2-trifluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanol
SMILESOC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)F
InChIInChI=1S/C5H2F10O2/c6-1(7)2(8,16)17-5(14,15)3(9,10)4(11,12)13/h1,16H
InChIKeyIGNNTGUHTMDCKR-UHFFFAOYSA-N
XLogP2.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.05
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trifluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanol?
The IUPAC name of 1,2,2-trifluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanol (CID 123290710) is 1,2,2-trifluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanol.
What is the SMILES notation for 1,2,2-trifluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanol?
The canonical SMILES for 1,2,2-trifluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanol is OC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)F.
What is the InChIKey of 1,2,2-trifluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanol?
The InChIKey is IGNNTGUHTMDCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F10O2/c6-1(7)2(8,16)17-5(14,15)3(9,10)4(11,12)13/h1,16H.
What are the key properties of 1,2,2-trifluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanol?
1,2,2-trifluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanol has a molecular weight of 284.05 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanol is sourced from PubChem (CID 123290710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).