3,3-difluoro-2-prop-2-enoxyprop-2-en-1-ol

C6H8F2O2 — CID 15215720

IUPAC3,3-difluoro-2-prop-2-enoxyprop-2-en-1-ol
SMILESC=CCOC(CO)=C(F)F
InChIInChI=1S/C6H8F2O2/c1-2-3-10-5(4-9)6(7)8/h2,9H,1,3-4H2
InChIKeyMETYHCRBLWOVLN-UHFFFAOYSA-N
MW150.12 g/mol
LogP1.29
Rot. Bonds4

About 3,3-difluoro-2-prop-2-enoxyprop-2-en-1-ol

3,3-difluoro-2-prop-2-enoxyprop-2-en-1-ol (PubChem CID 15215720) has the molecular formula C6H8F2O2 and a molecular weight of 150.12 g/mol. Its IUPAC name is 3,3-difluoro-2-prop-2-enoxyprop-2-en-1-ol.

Molecular Properties

Compound Name3,3-difluoro-2-prop-2-enoxyprop-2-en-1-ol
PubChem CID15215720
Molecular FormulaC6H8F2O2
Molecular Weight150.12 g/mol
Exact Mass150.05
IUPAC Name3,3-difluoro-2-prop-2-enoxyprop-2-en-1-ol
SMILESC=CCOC(CO)=C(F)F
InChIInChI=1S/C6H8F2O2/c1-2-3-10-5(4-9)6(7)8/h2,9H,1,3-4H2
InChIKeyMETYHCRBLWOVLN-UHFFFAOYSA-N
XLogP1.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.12
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3-difluoro-2-prop-2-enoxyprop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
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
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-Fluoroprop-2-enoxy)ethanol
CID 173423917
1,1,2,3,3-Pentafluoro-1-prop-2-enoxypropan-2-ol
CID 175149893
3-(2,2-Difluoroethoxy)prop-1-en-2-ol
CID 176925042

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-prop-2-enoxyprop-2-en-1-ol?
The IUPAC name of 3,3-difluoro-2-prop-2-enoxyprop-2-en-1-ol (CID 15215720) is 3,3-difluoro-2-prop-2-enoxyprop-2-en-1-ol.
What is the SMILES notation for 3,3-difluoro-2-prop-2-enoxyprop-2-en-1-ol?
The canonical SMILES for 3,3-difluoro-2-prop-2-enoxyprop-2-en-1-ol is C=CCOC(CO)=C(F)F.
What is the InChIKey of 3,3-difluoro-2-prop-2-enoxyprop-2-en-1-ol?
The InChIKey is METYHCRBLWOVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O2/c1-2-3-10-5(4-9)6(7)8/h2,9H,1,3-4H2.
What are the key properties of 3,3-difluoro-2-prop-2-enoxyprop-2-en-1-ol?
3,3-difluoro-2-prop-2-enoxyprop-2-en-1-ol has a molecular weight of 150.12 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-prop-2-enoxyprop-2-en-1-ol is sourced from PubChem (CID 15215720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).