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

C8H13F3O3 — CID 154092898

IUPAC1,1,1-trifluoro-3-(2-prop-2-enoxyethoxy)propan-2-ol
SMILESC=CCOCCOCC(O)C(F)(F)F
InChIInChI=1S/C8H13F3O3/c1-2-3-13-4-5-14-6-7(12)8(9,10)11/h2,7,12H,1,3-6H2
InChIKeyICXSFSZTLLRYKL-UHFFFAOYSA-N
MW214.18 g/mol
LogP1.13
Rot. Bonds7

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

1,1,1-trifluoro-3-(2-prop-2-enoxyethoxy)propan-2-ol (PubChem CID 154092898) has the molecular formula C8H13F3O3 and a molecular weight of 214.18 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(2-prop-2-enoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(2-prop-2-enoxyethoxy)propan-2-ol
PubChem CID154092898
Molecular FormulaC8H13F3O3
Molecular Weight214.18 g/mol
Exact Mass214.08
IUPAC Name1,1,1-trifluoro-3-(2-prop-2-enoxyethoxy)propan-2-ol
SMILESC=CCOCCOCC(O)C(F)(F)F
InChIInChI=1S/C8H13F3O3/c1-2-3-13-4-5-14-6-7(12)8(9,10)11/h2,7,12H,1,3-6H2
InChIKeyICXSFSZTLLRYKL-UHFFFAOYSA-N
XLogP1.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 51.13
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

2-Propanol, 1,3-bis(2-propen-1-yloxy)-
CID 86908
2-Propanol, 1-(1-methyl-2-(2-propenyloxy)ethoxy)-
CID 41674
3,3,3-Trifluoro-2-prop-2-enoxypropan-1-ol
CID 15215719
1-Fluoro-3-prop-2-enoxypropan-2-ol
CID 15053840
1,1-Difluoro-2-prop-2-enoxypenta-1,4-dien-3-ol
CID 134832234
3,3-Difluoro-2-prop-2-enoxyprop-2-en-1-ol
CID 15215720
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
1,1,1,2,3,3-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
4,4,4-Trifluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]butan-2-ol;hydrofluoride
CID 90845834

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(2-prop-2-enoxyethoxy)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(2-prop-2-enoxyethoxy)propan-2-ol (CID 154092898) is 1,1,1-trifluoro-3-(2-prop-2-enoxyethoxy)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(2-prop-2-enoxyethoxy)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(2-prop-2-enoxyethoxy)propan-2-ol is C=CCOCCOCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(2-prop-2-enoxyethoxy)propan-2-ol?
The InChIKey is ICXSFSZTLLRYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O3/c1-2-3-13-4-5-14-6-7(12)8(9,10)11/h2,7,12H,1,3-6H2.
What are the key properties of 1,1,1-trifluoro-3-(2-prop-2-enoxyethoxy)propan-2-ol?
1,1,1-trifluoro-3-(2-prop-2-enoxyethoxy)propan-2-ol has a molecular weight of 214.18 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(2-prop-2-enoxyethoxy)propan-2-ol is sourced from PubChem (CID 154092898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).