1-fluoro-1-methoxy-3,3-dimethylbutane

C7H15FO — CID 59409485

IUPAC1-fluoro-1-methoxy-3,3-dimethylbutane
SMILESCOC(F)CC(C)(C)C
InChIInChI=1S/C7H15FO/c1-7(2,3)5-6(8)9-4/h6H,5H2,1-4H3
InChIKeyMTQOEMGTOOTABU-UHFFFAOYSA-N
MW134.19 g/mol
LogP2.36
Rot. Bonds2

About 1-fluoro-1-methoxy-3,3-dimethylbutane

1-fluoro-1-methoxy-3,3-dimethylbutane (PubChem CID 59409485) has the molecular formula C7H15FO and a molecular weight of 134.19 g/mol. Its IUPAC name is 1-fluoro-1-methoxy-3,3-dimethylbutane.

Molecular Properties

Compound Name1-fluoro-1-methoxy-3,3-dimethylbutane
PubChem CID59409485
Molecular FormulaC7H15FO
Molecular Weight134.19 g/mol
Exact Mass134.11
IUPAC Name1-fluoro-1-methoxy-3,3-dimethylbutane
SMILESCOC(F)CC(C)(C)C
InChIInChI=1S/C7H15FO/c1-7(2,3)5-6(8)9-4/h6H,5H2,1-4H3
InChIKeyMTQOEMGTOOTABU-UHFFFAOYSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.19
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Fluoro-3-methoxy-2,2-dimethylpropane
CID 18714787
2,2-Difluoro-1-methoxy-3,3-dimethylbutane
CID 58044575
1,2-Difluoro-2-(fluoromethoxymethyl)butane
CID 58587214
CID 59530168
CID 59530168
4-Fluoro-1-methoxy-2-methylbutane
CID 59592536
1-(Fluoromethoxy)-2-methylbutane
CID 59716050
(2S)-1-(fluoromethoxy)-2-methylbutane
CID 89017557
1,1,1-Trifluoro-4-methoxy-3,3-dimethylbutane
CID 89465591
1,1,1-Trifluoro-4-methoxy-2-methyl-2-(trifluoromethyl)butane
CID 89465783
3-Ethyl-3-(fluoromethyl)oxetane
CID 117956424
1-(Fluoromethyl)-1-(methoxymethyl)cyclopropane
CID 118350564
3-Tert-butyl-3-fluorooxetane
CID 122426797

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-methoxy-3,3-dimethylbutane?
The IUPAC name of 1-fluoro-1-methoxy-3,3-dimethylbutane (CID 59409485) is 1-fluoro-1-methoxy-3,3-dimethylbutane.
What is the SMILES notation for 1-fluoro-1-methoxy-3,3-dimethylbutane?
The canonical SMILES for 1-fluoro-1-methoxy-3,3-dimethylbutane is COC(F)CC(C)(C)C.
What is the InChIKey of 1-fluoro-1-methoxy-3,3-dimethylbutane?
The InChIKey is MTQOEMGTOOTABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FO/c1-7(2,3)5-6(8)9-4/h6H,5H2,1-4H3.
What are the key properties of 1-fluoro-1-methoxy-3,3-dimethylbutane?
1-fluoro-1-methoxy-3,3-dimethylbutane has a molecular weight of 134.19 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-methoxy-3,3-dimethylbutane is sourced from PubChem (CID 59409485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).