(3-methoxy-2-methylpropyl) carbonofluoridate

C6H11FO3 — CID 59592539

IUPAC(3-methoxy-2-methylpropyl) carbonofluoridate
SMILESCOCC(C)COC(=O)F
InChIInChI=1S/C6H11FO3/c1-5(3-9-2)4-10-6(7)8/h5H,3-4H2,1-2H3
InChIKeyGUAMGHHZZAIEIK-UHFFFAOYSA-N
MW150.15 g/mol
LogP1.38
Rot. Bonds4

About (3-methoxy-2-methylpropyl) carbonofluoridate

(3-methoxy-2-methylpropyl) carbonofluoridate (PubChem CID 59592539) has the molecular formula C6H11FO3 and a molecular weight of 150.15 g/mol. Its IUPAC name is (3-methoxy-2-methylpropyl) carbonofluoridate.

Molecular Properties

Compound Name(3-methoxy-2-methylpropyl) carbonofluoridate
PubChem CID59592539
Molecular FormulaC6H11FO3
Molecular Weight150.15 g/mol
Exact Mass150.07
IUPAC Name(3-methoxy-2-methylpropyl) carbonofluoridate
SMILESCOCC(C)COC(=O)F
InChIInChI=1S/C6H11FO3/c1-5(3-9-2)4-10-6(7)8/h5H,3-4H2,1-2H3
InChIKeyGUAMGHHZZAIEIK-UHFFFAOYSA-N
XLogP1.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

Neopentyl fluoroformate
CID 13668764
2-Methylpropyl carbonofluoridate
CID 12545974
Fluoroisobutyl acetate
CID 129804933
1-(Fluoromethoxy)-3-methoxy-2-methylpropane
CID 59592542
[(2S)-3-fluoro-2-methylpropyl] acetate
CID 89049940
(3-Carbonofluoridoyloxy-2,2-dimethylpropyl) carbonofluoridate
CID 126746159
2-Methylpropyl 2-fluoroacetate
CID 140916121
(3-Hydroxy-2-methylpropyl) carbonofluoridate
CID 167193350
2-Methylbutyl carbonofluoridate
CID 175333925
Ethyl carbonofluoridate;bis(2-methylbutane)
CID 90813116
Ethyl carbonofluoridate;2-methylbutane
CID 91468718
Carbon dioxide;1-methoxy-2-methylpropane
CID 157258706

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-2-methylpropyl) carbonofluoridate?
The IUPAC name of (3-methoxy-2-methylpropyl) carbonofluoridate (CID 59592539) is (3-methoxy-2-methylpropyl) carbonofluoridate.
What is the SMILES notation for (3-methoxy-2-methylpropyl) carbonofluoridate?
The canonical SMILES for (3-methoxy-2-methylpropyl) carbonofluoridate is COCC(C)COC(=O)F.
What is the InChIKey of (3-methoxy-2-methylpropyl) carbonofluoridate?
The InChIKey is GUAMGHHZZAIEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO3/c1-5(3-9-2)4-10-6(7)8/h5H,3-4H2,1-2H3.
What are the key properties of (3-methoxy-2-methylpropyl) carbonofluoridate?
(3-methoxy-2-methylpropyl) carbonofluoridate has a molecular weight of 150.15 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2-methylpropyl) carbonofluoridate is sourced from PubChem (CID 59592539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).