3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propan-1-ol

C9H12F6O3 — CID 87642564

IUPAC3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propan-1-ol
SMILESC=CCOC(COC(CO)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F6O3/c1-2-3-17-7(9(13,14)15)5-18-6(4-16)8(10,11)12/h2,6-7,16H,1,3-5H2
InChIKeyKLKHZWLFNWMWTJ-UHFFFAOYSA-N
MW282.18 g/mol
LogP2.06
Rot. Bonds7

About 3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propan-1-ol

3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propan-1-ol (PubChem CID 87642564) has the molecular formula C9H12F6O3 and a molecular weight of 282.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propan-1-ol
PubChem CID87642564
Molecular FormulaC9H12F6O3
Molecular Weight282.18 g/mol
Exact Mass282.07
IUPAC Name3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propan-1-ol
SMILESC=CCOC(COC(CO)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F6O3/c1-2-3-17-7(9(13,14)15)5-18-6(4-16)8(10,11)12/h2,6-7,16H,1,3-5H2
InChIKeyKLKHZWLFNWMWTJ-UHFFFAOYSA-N
XLogP2.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propan-1-ol?
The IUPAC name of 3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propan-1-ol (CID 87642564) is 3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propan-1-ol is C=CCOC(COC(CO)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propan-1-ol?
The InChIKey is KLKHZWLFNWMWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6O3/c1-2-3-17-7(9(13,14)15)5-18-6(4-16)8(10,11)12/h2,6-7,16H,1,3-5H2.
What are the key properties of 3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propan-1-ol?
3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propan-1-ol has a molecular weight of 282.18 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propan-1-ol is sourced from PubChem (CID 87642564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).