1-fluoro-3-methoxy-2,2-dimethylpropane

C6H13FO — CID 18714787

IUPAC1-fluoro-3-methoxy-2,2-dimethylpropane
SMILESCOCC(C)(C)CF
InChIInChI=1S/C6H13FO/c1-6(2,4-7)5-8-3/h4-5H2,1-3H3
InChIKeyKEJLNQXAUNCINH-UHFFFAOYSA-N
MW120.17 g/mol
LogP1.63
Rot. Bonds3

About 1-fluoro-3-methoxy-2,2-dimethylpropane

1-fluoro-3-methoxy-2,2-dimethylpropane (PubChem CID 18714787) has the molecular formula C6H13FO and a molecular weight of 120.17 g/mol. Its IUPAC name is 1-fluoro-3-methoxy-2,2-dimethylpropane.

Molecular Properties

Compound Name1-fluoro-3-methoxy-2,2-dimethylpropane
PubChem CID18714787
Molecular FormulaC6H13FO
Molecular Weight120.17 g/mol
Exact Mass120.10
IUPAC Name1-fluoro-3-methoxy-2,2-dimethylpropane
SMILESCOCC(C)(C)CF
InChIInChI=1S/C6H13FO/c1-6(2,4-7)5-8-3/h4-5H2,1-3H3
InChIKeyKEJLNQXAUNCINH-UHFFFAOYSA-N
XLogP1.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-fluoro-3-methoxy-2,2-dimethylpropane 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-Methoxy-2,2-dimethylpropane
CID 136871
Fluorobutyl methyl ether
CID 20582799
2-Fluoro-1-methoxypropane
CID 12700780
2-Fluoro-1-methoxybutane
CID 12700781
3-Fluoropropyl methyl ether
CID 18335957
1,1,1,3,3,3-Hexafluoro-2-(methoxymethyl)-2-methylpropane
CID 21062401
1-Fluoro-1-(fluoromethoxy)propane
CID 21517134
1-Fluoro-1-methoxypropane
CID 21831689
1-Ethoxy-3-fluoro-2-methylpropane
CID 22002896
1-(Fluoromethoxy)propane
CID 22178544
1-Fluoro-1-methoxybutane
CID 22326021
1-Ethoxy-2-fluoropropane
CID 23542755

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methoxy-2,2-dimethylpropane?
The IUPAC name of 1-fluoro-3-methoxy-2,2-dimethylpropane (CID 18714787) is 1-fluoro-3-methoxy-2,2-dimethylpropane.
What is the SMILES notation for 1-fluoro-3-methoxy-2,2-dimethylpropane?
The canonical SMILES for 1-fluoro-3-methoxy-2,2-dimethylpropane is COCC(C)(C)CF.
What is the InChIKey of 1-fluoro-3-methoxy-2,2-dimethylpropane?
The InChIKey is KEJLNQXAUNCINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO/c1-6(2,4-7)5-8-3/h4-5H2,1-3H3.
What are the key properties of 1-fluoro-3-methoxy-2,2-dimethylpropane?
1-fluoro-3-methoxy-2,2-dimethylpropane has a molecular weight of 120.17 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methoxy-2,2-dimethylpropane is sourced from PubChem (CID 18714787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).