2-(3,3-difluoroprop-2-enoxy)ethanol

C5H8F2O2 — CID 101004429

IUPAC2-(3,3-difluoroprop-2-enoxy)ethanol
SMILESOCCOCC=C(F)F
InChIInChI=1S/C5H8F2O2/c6-5(7)1-3-9-4-2-8/h1,8H,2-4H2
InChIKeyLRKQADDMMCKPJK-UHFFFAOYSA-N
MW138.11 g/mol
LogP0.78
Rot. Bonds4

About 2-(3,3-difluoroprop-2-enoxy)ethanol

2-(3,3-difluoroprop-2-enoxy)ethanol (PubChem CID 101004429) has the molecular formula C5H8F2O2 and a molecular weight of 138.11 g/mol. Its IUPAC name is 2-(3,3-difluoroprop-2-enoxy)ethanol.

Molecular Properties

Compound Name2-(3,3-difluoroprop-2-enoxy)ethanol
PubChem CID101004429
Molecular FormulaC5H8F2O2
Molecular Weight138.11 g/mol
Exact Mass138.05
IUPAC Name2-(3,3-difluoroprop-2-enoxy)ethanol
SMILESOCCOCC=C(F)F
InChIInChI=1S/C5H8F2O2/c6-5(7)1-3-9-4-2-8/h1,8H,2-4H2
InChIKeyLRKQADDMMCKPJK-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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
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
2-[2-(1,1,1-Trifluoropenta-3,4-dien-2-yloxy)ethoxy]ethanol
CID 140216080
1,1,2-Trifluoro-2-prop-2-enoxyethanol
CID 140790105
2-(1,1-Difluoro-2-prop-2-enoxyethoxy)-2,2-difluoroethanol
CID 153446275
2-(1,1,2,3,3-Pentafluoroprop-2-enoxy)ethanol
CID 173004592
2-(1-Fluoroprop-2-enoxy)ethanol
CID 173423917
3-(2,2-Difluoroethoxy)prop-1-en-2-ol
CID 176925042
2-(2,3-Butadienyloxy)ethanol
CID 542265
2-[2-[2-(1,1-Difluoro-2-prop-2-enoxyethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethanol
CID 101521826

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoroprop-2-enoxy)ethanol?
The IUPAC name of 2-(3,3-difluoroprop-2-enoxy)ethanol (CID 101004429) is 2-(3,3-difluoroprop-2-enoxy)ethanol.
What is the SMILES notation for 2-(3,3-difluoroprop-2-enoxy)ethanol?
The canonical SMILES for 2-(3,3-difluoroprop-2-enoxy)ethanol is OCCOCC=C(F)F.
What is the InChIKey of 2-(3,3-difluoroprop-2-enoxy)ethanol?
The InChIKey is LRKQADDMMCKPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O2/c6-5(7)1-3-9-4-2-8/h1,8H,2-4H2.
What are the key properties of 2-(3,3-difluoroprop-2-enoxy)ethanol?
2-(3,3-difluoroprop-2-enoxy)ethanol has a molecular weight of 138.11 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoroprop-2-enoxy)ethanol is sourced from PubChem (CID 101004429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).