1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoxyethoxymethyl)propan-2-ol

C9H12F6O3 — CID 140970451

IUPAC1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoxyethoxymethyl)propan-2-ol
SMILESC=CCOCCOCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F6O3/c1-2-3-17-4-5-18-6-7(16,8(10,11)12)9(13,14)15/h2,16H,1,3-6H2
InChIKeyDZLNJLJKGWWOBI-UHFFFAOYSA-N
MW282.18 g/mol
LogP2.06
Rot. Bonds7

About 1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoxyethoxymethyl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoxyethoxymethyl)propan-2-ol (PubChem CID 140970451) has the molecular formula C9H12F6O3 and a molecular weight of 282.18 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoxyethoxymethyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoxyethoxymethyl)propan-2-ol
PubChem CID140970451
Molecular FormulaC9H12F6O3
Molecular Weight282.18 g/mol
Exact Mass282.07
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoxyethoxymethyl)propan-2-ol
SMILESC=CCOCCOCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F6O3/c1-2-3-17-4-5-18-6-7(16,8(10,11)12)9(13,14)15/h2,16H,1,3-6H2
InChIKeyDZLNJLJKGWWOBI-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,1,2,3,3,3-Hexafluoro-2-prop-2-enoxypropan-1-ol
CID 20186793
1,1,1-Trifluoro-3-prop-2-enoxypropan-2-ol
CID 22913249
1,1,1,3,3,3-Hexafluoro-2-(prop-2-enoxymethyl)-2-(1,1,2-trifluoroethoxy)propane
CID 22966651
1,1,1,2,3,3-Hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(1,1,1-trifluoro-3-prop-2-enoxypropan-2-yl)oxypropane
CID 59628136
3,3,3-Trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propan-1-ol
CID 87642564
2-[3,3,3-Trifluoro-2-prop-2-enoxy-2-(trifluoromethyl)propoxy]ethanol
CID 88009979
2-Ethoxy-1,1,1,3,3-pentafluoro-3-prop-2-enoxypropan-2-ol
CID 89172035
1,1,1,2,3,3-Hexafluoro-3-(1,1,1,2-tetrafluoro-3-prop-2-enoxypropan-2-yl)oxy-2-(1,1,2-trifluoroprop-2-enoxy)propane
CID 89441103
1,1,1,2,3,3-Hexafluoro-3-prop-2-enoxy-2-propoxypropane
CID 118138316
2-(1,1-Difluoro-2-prop-2-enoxyethoxy)-2,2-difluoroethanol
CID 153446275
3-(Fluoromethoxy)prop-1-ene;1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(2,2,2-trifluoroethoxy)propane
CID 157108994
1,1,2,3,3-Pentafluoro-1-prop-2-enoxypropan-2-ol
CID 175149893

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoxyethoxymethyl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoxyethoxymethyl)propan-2-ol (CID 140970451) is 1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoxyethoxymethyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoxyethoxymethyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoxyethoxymethyl)propan-2-ol is C=CCOCCOCC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoxyethoxymethyl)propan-2-ol?
The InChIKey is DZLNJLJKGWWOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6O3/c1-2-3-17-4-5-18-6-7(16,8(10,11)12)9(13,14)15/h2,16H,1,3-6H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoxyethoxymethyl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoxyethoxymethyl)propan-2-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 1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoxyethoxymethyl)propan-2-ol is sourced from PubChem (CID 140970451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).