1-(fluoromethoxy)-3-methoxy-2-methylpropane

C6H13FO2 — CID 59592542

IUPAC1-(fluoromethoxy)-3-methoxy-2-methylpropane
SMILESCOCC(C)COCF
InChIInChI=1S/C6H13FO2/c1-6(3-8-2)4-9-5-7/h6H,3-5H2,1-2H3
InChIKeyCQZDCVHKJAQBMQ-UHFFFAOYSA-N
MW136.17 g/mol
LogP1.21
Rot. Bonds5

About 1-(fluoromethoxy)-3-methoxy-2-methylpropane

1-(fluoromethoxy)-3-methoxy-2-methylpropane (PubChem CID 59592542) has the molecular formula C6H13FO2 and a molecular weight of 136.17 g/mol. Its IUPAC name is 1-(fluoromethoxy)-3-methoxy-2-methylpropane.

Molecular Properties

Compound Name1-(fluoromethoxy)-3-methoxy-2-methylpropane
PubChem CID59592542
Molecular FormulaC6H13FO2
Molecular Weight136.17 g/mol
Exact Mass136.09
IUPAC Name1-(fluoromethoxy)-3-methoxy-2-methylpropane
SMILESCOCC(C)COCF
InChIInChI=1S/C6H13FO2/c1-6(3-8-2)4-9-5-7/h6H,3-5H2,1-2H3
InChIKeyCQZDCVHKJAQBMQ-UHFFFAOYSA-N
XLogP1.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Fluoro-1,3-dimethoxypropane
CID 21301613
1-Ethoxy-3-fluoro-2-methylpropane
CID 22002896
2-Fluoro-1-methoxy-2-methylpropane
CID 59034197
(3-Methoxy-2-methylpropyl) carbonofluoridate
CID 59592539
1-Fluoro-3-methoxy-2-methylpropane
CID 59592541
3-[Fluoro(methoxy)methyl]oxetane
CID 70631872
1-(2-Fluoroethoxy)-2-methylpropane
CID 87069584
1-Fluoro-1-methoxy-2-methylpropane
CID 89358857
1-(Fluoromethoxy)-3-methoxypropane
CID 89600135
1-(2-Fluoroethoxy)-3-methoxypropane
CID 89600470
3-Fluoro-3-(methoxymethyl)oxetane
CID 121246741
1-(1-Fluoroethoxy)-2-methylpropane
CID 123707747

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethoxy)-3-methoxy-2-methylpropane?
The IUPAC name of 1-(fluoromethoxy)-3-methoxy-2-methylpropane (CID 59592542) is 1-(fluoromethoxy)-3-methoxy-2-methylpropane.
What is the SMILES notation for 1-(fluoromethoxy)-3-methoxy-2-methylpropane?
The canonical SMILES for 1-(fluoromethoxy)-3-methoxy-2-methylpropane is COCC(C)COCF.
What is the InChIKey of 1-(fluoromethoxy)-3-methoxy-2-methylpropane?
The InChIKey is CQZDCVHKJAQBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO2/c1-6(3-8-2)4-9-5-7/h6H,3-5H2,1-2H3.
What are the key properties of 1-(fluoromethoxy)-3-methoxy-2-methylpropane?
1-(fluoromethoxy)-3-methoxy-2-methylpropane has a molecular weight of 136.17 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethoxy)-3-methoxy-2-methylpropane is sourced from PubChem (CID 59592542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).