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

C6H13FO — CID 169036792

IUPAC1-fluoro-1-methoxy-2,2-dimethylpropane
SMILESCOC(F)C(C)(C)C
InChIInChI=1S/C6H13FO/c1-6(2,3)5(7)8-4/h5H,1-4H3
InChIKeyJAIFOVAFPGWNSW-UHFFFAOYSA-N
MW120.17 g/mol
LogP1.97
Rot. Bonds1

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

1-fluoro-1-methoxy-2,2-dimethylpropane (PubChem CID 169036792) has the molecular formula C6H13FO and a molecular weight of 120.17 g/mol. Its IUPAC name is 1-fluoro-1-methoxy-2,2-dimethylpropane.

Molecular Properties

Compound Name1-fluoro-1-methoxy-2,2-dimethylpropane
PubChem CID169036792
Molecular FormulaC6H13FO
Molecular Weight120.17 g/mol
Exact Mass120.10
IUPAC Name1-fluoro-1-methoxy-2,2-dimethylpropane
SMILESCOC(F)C(C)(C)C
InChIInChI=1S/C6H13FO/c1-6(2,3)5(7)8-4/h5H,1-4H3
InChIKeyJAIFOVAFPGWNSW-UHFFFAOYSA-N
XLogP1.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-methoxy-2,2-dimethylpropane?
The IUPAC name of 1-fluoro-1-methoxy-2,2-dimethylpropane (CID 169036792) is 1-fluoro-1-methoxy-2,2-dimethylpropane.
What is the SMILES notation for 1-fluoro-1-methoxy-2,2-dimethylpropane?
The canonical SMILES for 1-fluoro-1-methoxy-2,2-dimethylpropane is COC(F)C(C)(C)C.
What is the InChIKey of 1-fluoro-1-methoxy-2,2-dimethylpropane?
The InChIKey is JAIFOVAFPGWNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO/c1-6(2,3)5(7)8-4/h5H,1-4H3.
What are the key properties of 1-fluoro-1-methoxy-2,2-dimethylpropane?
1-fluoro-1-methoxy-2,2-dimethylpropane has a molecular weight of 120.17 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-methoxy-2,2-dimethylpropane is sourced from PubChem (CID 169036792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).