1-ethoxy-1,1-difluorobutane;fluoromethane

C7H15F3O — CID 91368772

IUPAC1-ethoxy-1,1-difluorobutane;fluoromethane
SMILESCCCC(F)(F)OCC.CF
InChIInChI=1S/C6H12F2O.CH3F/c1-3-5-6(7,8)9-4-2;1-2/h3-5H2,1-2H3;1H3
InChIKeyGIRNNNKJNUVXSY-UHFFFAOYSA-N
MW172.19 g/mol
LogP3.00
Rot. Bonds4

About 1-ethoxy-1,1-difluorobutane;fluoromethane

1-ethoxy-1,1-difluorobutane;fluoromethane (PubChem CID 91368772) has the molecular formula C7H15F3O and a molecular weight of 172.19 g/mol. Its IUPAC name is 1-ethoxy-1,1-difluorobutane;fluoromethane.

Molecular Properties

Compound Name1-ethoxy-1,1-difluorobutane;fluoromethane
PubChem CID91368772
Molecular FormulaC7H15F3O
Molecular Weight172.19 g/mol
Exact Mass172.11
IUPAC Name1-ethoxy-1,1-difluorobutane;fluoromethane
SMILESCCCC(F)(F)OCC.CF
InChIInChI=1S/C6H12F2O.CH3F/c1-3-5-6(7,8)9-4-2;1-2/h3-5H2,1-2H3;1H3
InChIKeyGIRNNNKJNUVXSY-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethoxy-1,1-difluorobutane;fluoromethane 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

1-ethoxy-1,1-difluoropentane
CID 21052612
1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-1,1-difluorobutane
CID 59966875
1-ethoxy-1,1-difluoro-2-iodoethane
CID 119095748
3-dimethylphosphoryloxy-1-ethoxy-1,1-difluoropropane
CID 89445600
1-ethoxy-1,1-difluoro-5-methylheptane
CID 173466732
1-chloro-2,2-diethoxypentane
CID 174444094
2,2-dibutylhexane-1,1,1-triol;1,1,1-triethoxyethane
CID 175727571
4-propyl-4-(triethoxymethyl)dodecane
CID 151365628
chloro-(3-ethoxy-1,1,3,3-tetrafluoropropyl)-methylsilane
CID 173043236
2-ethoxy-2-fluorobutane
CID 89114459
2,2-diethoxy-2-fluoroethanol
CID 174439051
1,2-dichloro-1-ethoxy-1,2,2-trifluoroethane
CID 23235124

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1,1-difluorobutane;fluoromethane?
The IUPAC name of 1-ethoxy-1,1-difluorobutane;fluoromethane (CID 91368772) is 1-ethoxy-1,1-difluorobutane;fluoromethane.
What is the SMILES notation for 1-ethoxy-1,1-difluorobutane;fluoromethane?
The canonical SMILES for 1-ethoxy-1,1-difluorobutane;fluoromethane is CCCC(F)(F)OCC.CF.
What is the InChIKey of 1-ethoxy-1,1-difluorobutane;fluoromethane?
The InChIKey is GIRNNNKJNUVXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2O.CH3F/c1-3-5-6(7,8)9-4-2;1-2/h3-5H2,1-2H3;1H3.
What are the key properties of 1-ethoxy-1,1-difluorobutane;fluoromethane?
1-ethoxy-1,1-difluorobutane;fluoromethane has a molecular weight of 172.19 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1,1-difluorobutane;fluoromethane is sourced from PubChem (CID 91368772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).