3-(2,2-difluoroethoxy)prop-1-en-2-ol

C5H8F2O2 — CID 176925042

IUPAC3-(2,2-difluoroethoxy)prop-1-en-2-ol
SMILESC=C(O)COCC(F)F
InChIInChI=1S/C5H8F2O2/c1-4(8)2-9-3-5(6)7/h5,8H,1-3H2
InChIKeySTOJXHRQJRWHHL-UHFFFAOYSA-N
MW138.11 g/mol
LogP1.34
Rot. Bonds4

About 3-(2,2-difluoroethoxy)prop-1-en-2-ol

3-(2,2-difluoroethoxy)prop-1-en-2-ol (PubChem CID 176925042) has the molecular formula C5H8F2O2 and a molecular weight of 138.11 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)prop-1-en-2-ol.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)prop-1-en-2-ol
PubChem CID176925042
Molecular FormulaC5H8F2O2
Molecular Weight138.11 g/mol
Exact Mass138.05
IUPAC Name3-(2,2-difluoroethoxy)prop-1-en-2-ol
SMILESC=C(O)COCC(F)F
InChIInChI=1S/C5H8F2O2/c1-4(8)2-9-3-5(6)7/h5,8H,1-3H2
InChIKeySTOJXHRQJRWHHL-UHFFFAOYSA-N
XLogP1.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.11
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3,3,3-Trifluoro-2-prop-2-enoxypropan-1-ol
CID 15215719
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
2,3,3,3-Tetrafluoro-2-[(1,1,2-trifluoro-2-propen-1-yl)oxy]-1-propanol
CID 20802269
1,1,1-Trifluoro-3-prop-2-enoxypropan-2-ol
CID 22913249
1,1,2-Trifluoro-2-prop-2-enoxyethanol
CID 140790105
1-(1,2-Difluoroprop-2-enoxy)-1,1,2,3,3,3-hexafluoropropan-2-ol
CID 146426173
2-(1,1-Difluoro-2-prop-2-enoxyethoxy)-2,2-difluoroethanol
CID 153446275
1,1,2,3,3-Pentafluoro-1-prop-2-enoxypropan-2-ol
CID 175149893
2-(3,3-Difluoroprop-2-enoxy)ethanol
CID 101004429
1,1,1-Trifluoro-3-(2-prop-2-enoxyethoxy)propan-2-ol
CID 154092898
3-(Trifluoromethoxy)prop-1-en-2-ol
CID 157660202

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)prop-1-en-2-ol?
The IUPAC name of 3-(2,2-difluoroethoxy)prop-1-en-2-ol (CID 176925042) is 3-(2,2-difluoroethoxy)prop-1-en-2-ol.
What is the SMILES notation for 3-(2,2-difluoroethoxy)prop-1-en-2-ol?
The canonical SMILES for 3-(2,2-difluoroethoxy)prop-1-en-2-ol is C=C(O)COCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)prop-1-en-2-ol?
The InChIKey is STOJXHRQJRWHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O2/c1-4(8)2-9-3-5(6)7/h5,8H,1-3H2.
What are the key properties of 3-(2,2-difluoroethoxy)prop-1-en-2-ol?
3-(2,2-difluoroethoxy)prop-1-en-2-ol has a molecular weight of 138.11 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)prop-1-en-2-ol is sourced from PubChem (CID 176925042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).