1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol

C5H7F3O2 — CID 54215711

IUPAC1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol
SMILESC=CC(O)OCC(F)(F)F
InChIInChI=1S/C5H7F3O2/c1-2-4(9)10-3-5(6,7)8/h2,4,9H,1,3H2
InChIKeyBKYVZWKQJMTGKY-UHFFFAOYSA-N
MW156.10 g/mol
LogP1.07
Rot. Bonds3

About 1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol

1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol (PubChem CID 54215711) has the molecular formula C5H7F3O2 and a molecular weight of 156.10 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol
PubChem CID54215711
Molecular FormulaC5H7F3O2
Molecular Weight156.10 g/mol
Exact Mass156.04
IUPAC Name1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol
SMILESC=CC(O)OCC(F)(F)F
InChIInChI=1S/C5H7F3O2/c1-2-4(9)10-3-5(6,7)8/h2,4,9H,1,3H2
InChIKeyBKYVZWKQJMTGKY-UHFFFAOYSA-N
XLogP1.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.10
LogP ≤ 51.07
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

amino(2,2,2-trifluoroethoxy)methanol
CID 91264167
1-(1-hydroxyprop-2-enoxy)prop-2-en-1-ol
CID 22251489
2-methyl-1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol
CID 144715413
1-(2-methylprop-2-enoxy)prop-2-en-1-ol
CID 56607724
2,2,2-trifluoroethyl 2-methylbut-3-enoate
CID 88901214
2,2,2-trifluoroethoxymethanediolate
CID 149435105
2-fluoro-2-(2,2,2-trifluoroethoxy)acetic acid
CID 79357398
1-ethenyl-2-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 139750637
2-methyl-3-(2,2,2-trifluoroethoxy)butane
CID 59061021
2-hydroxybut-3-enyl 4-(trifluoromethyl)benzoate
CID 162536715
1-(2,2,2-trifluoroethoxy)oct-7-en-3-ol
CID 103147617
2-(1-hydroxyprop-2-enoxy)propan-2-ol
CID 174666718

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol (CID 54215711) is 1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol is C=CC(O)OCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol?
The InChIKey is BKYVZWKQJMTGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O2/c1-2-4(9)10-3-5(6,7)8/h2,4,9H,1,3H2.
What are the key properties of 1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol?
1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol has a molecular weight of 156.10 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol is sourced from PubChem (CID 54215711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).