4H-1,3-dioxine;1,1,2,2,3-pentafluoropropane

C7H9F5O2 — CID 158210832

IUPAC4H-1,3-dioxine;1,1,2,2,3-pentafluoropropane
SMILESC1=COCOC1.FCC(F)(F)C(F)F
InChIInChI=1S/C4H6O2.C3H3F5/c1-2-5-4-6-3-1;4-1-3(7,8)2(5)6/h1-2H,3-4H2;2H,1H2
InChIKeyGCBCGYJHKQKABM-UHFFFAOYSA-N
MW220.14 g/mol
LogP2.36
Rot. Bonds2

About 4H-1,3-dioxine;1,1,2,2,3-pentafluoropropane

4H-1,3-dioxine;1,1,2,2,3-pentafluoropropane (PubChem CID 158210832) has the molecular formula C7H9F5O2 and a molecular weight of 220.14 g/mol. Its IUPAC name is 4H-1,3-dioxine;1,1,2,2,3-pentafluoropropane.

Molecular Properties

Compound Name4H-1,3-dioxine;1,1,2,2,3-pentafluoropropane
PubChem CID158210832
Molecular FormulaC7H9F5O2
Molecular Weight220.14 g/mol
Exact Mass220.05
IUPAC Name4H-1,3-dioxine;1,1,2,2,3-pentafluoropropane
SMILESC1=COCOC1.FCC(F)(F)C(F)F
InChIInChI=1S/C4H6O2.C3H3F5/c1-2-5-4-6-3-1;4-1-3(7,8)2(5)6/h1-2H,3-4H2;2H,1H2
InChIKeyGCBCGYJHKQKABM-UHFFFAOYSA-N
XLogP2.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.14
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 4H-1,3-dioxine;1,1,2,2,3-pentafluoropropane 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-1,1-bis(prop-2-enoxy)prop-1-ene
CID 42604981
1,1,1,2,2,3,3-Heptafluoro-3-[1-[1-(1,1,2,2,3,3,3-heptafluoropropoxy)prop-2-enoxy]prop-2-enoxy]propane
CID 57280272
2,2,4,4-Tetrafluoro-1,3-dioxine
CID 68830009
3-(Trifluoromethoxymethoxy)prop-1-ene
CID 118138304
3-[Difluoro(trifluoromethoxy)methoxy]prop-1-ene
CID 118138306
3-[1-(Difluoromethoxy)ethenoxy]-3-fluoroprop-1-ene
CID 122444409
3-[Difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]prop-1-ene
CID 141600982
4-fluoro-4H-1,3-dioxine
CID 150614116
2-fluoro-4H-1,3-dioxine
CID 152448598
1-[3,3-Difluoro-1-(3-fluoroprop-2-enoxy)propa-1,2-dienoxy]-3,3-difluoro-1-(3-fluoroprop-2-enoxy)propa-1,2-diene
CID 173534186
3,3,3-Trifluoro-1,1-bis(prop-2-enoxy)-2-(trifluoromethyl)prop-1-ene
CID 23233588
1,1,3,3,3-Pentafluoro-2-(prop-2-enoxymethoxy)prop-1-ene
CID 85900031

Frequently Asked Questions

What is the IUPAC name of 4H-1,3-dioxine;1,1,2,2,3-pentafluoropropane?
The IUPAC name of 4H-1,3-dioxine;1,1,2,2,3-pentafluoropropane (CID 158210832) is 4H-1,3-dioxine;1,1,2,2,3-pentafluoropropane.
What is the SMILES notation for 4H-1,3-dioxine;1,1,2,2,3-pentafluoropropane?
The canonical SMILES for 4H-1,3-dioxine;1,1,2,2,3-pentafluoropropane is C1=COCOC1.FCC(F)(F)C(F)F.
What is the InChIKey of 4H-1,3-dioxine;1,1,2,2,3-pentafluoropropane?
The InChIKey is GCBCGYJHKQKABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C3H3F5/c1-2-5-4-6-3-1;4-1-3(7,8)2(5)6/h1-2H,3-4H2;2H,1H2.
What are the key properties of 4H-1,3-dioxine;1,1,2,2,3-pentafluoropropane?
4H-1,3-dioxine;1,1,2,2,3-pentafluoropropane has a molecular weight of 220.14 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-1,3-dioxine;1,1,2,2,3-pentafluoropropane is sourced from PubChem (CID 158210832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).