1,1,1,2,2,3-hexafluoro-3-methoxypropane

C4H4F6O — CID 14272781

IUPAC1,1,1,2,2,3-hexafluoro-3-methoxypropane
SMILESCOC(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H4F6O/c1-11-2(5)3(6,7)4(8,9)10/h2H,1H3
InChIKeyRASKTQXGRRUDMB-UHFFFAOYSA-N
MW182.06 g/mol
LogP2.13
Rot. Bonds2

About 1,1,1,2,2,3-hexafluoro-3-methoxypropane

1,1,1,2,2,3-hexafluoro-3-methoxypropane (PubChem CID 14272781) has the molecular formula C4H4F6O and a molecular weight of 182.06 g/mol. Its IUPAC name is 1,1,1,2,2,3-hexafluoro-3-methoxypropane.

Molecular Properties

Compound Name1,1,1,2,2,3-hexafluoro-3-methoxypropane
PubChem CID14272781
Molecular FormulaC4H4F6O
Molecular Weight182.06 g/mol
Exact Mass182.02
IUPAC Name1,1,1,2,2,3-hexafluoro-3-methoxypropane
SMILESCOC(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H4F6O/c1-11-2(5)3(6,7)4(8,9)10/h2H,1H3
InChIKeyRASKTQXGRRUDMB-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.06
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3-hexafluoro-3-methoxypropane 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

Flurothyl
CID 9528
Heptafluoropropyl 1,2,2,2-tetrafluoroethyl ether
CID 94258
Hexafluoroisopropyl methyl ether
CID 25749
1,1,1,3,3-Pentafluoro-3-methoxy-2-(trifluoromethyl)propane
CID 45459
2-Ethoxy-1,1,1-trifluoroethane
CID 10003
1-Ethoxy-1,1,2,2-tetrafluoroethane
CID 120272
3-(Difluoromethoxy)-1,1,2,2-tetrafluoropropane
CID 2737027
1,1,2,2-Tetrafluoro-3-(1,1,2,2-tetrafluoroethoxy)propane
CID 2776662
1,1,2,3,3,3-Hexafluoropropyl methyl ether
CID 2778364
Ethyl perfluoroisobutyl ether
CID 205999
Ethoxynonafluorobutane
CID 206000
n-Butyl 1,1,2,2-tetrafluoroethyl ether
CID 9659

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3-hexafluoro-3-methoxypropane?
The IUPAC name of 1,1,1,2,2,3-hexafluoro-3-methoxypropane (CID 14272781) is 1,1,1,2,2,3-hexafluoro-3-methoxypropane.
What is the SMILES notation for 1,1,1,2,2,3-hexafluoro-3-methoxypropane?
The canonical SMILES for 1,1,1,2,2,3-hexafluoro-3-methoxypropane is COC(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3-hexafluoro-3-methoxypropane?
The InChIKey is RASKTQXGRRUDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6O/c1-11-2(5)3(6,7)4(8,9)10/h2H,1H3.
What are the key properties of 1,1,1,2,2,3-hexafluoro-3-methoxypropane?
1,1,1,2,2,3-hexafluoro-3-methoxypropane has a molecular weight of 182.06 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3-hexafluoro-3-methoxypropane is sourced from PubChem (CID 14272781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).