ethyl carbonofluoridate;2-methylbutane

C8H17FO2 — CID 91468718

IUPACethyl carbonofluoridate;2-methylbutane
SMILESCCC(C)C.CCOC(=O)F
InChIInChI=1S/C5H12.C3H5FO2/c1-4-5(2)3;1-2-6-3(4)5/h5H,4H2,1-3H3;2H2,1H3
InChIKeyZBCITVSPDHGHCM-UHFFFAOYSA-N
MW164.22 g/mol
LogP3.16
Rot. Bonds2

About ethyl carbonofluoridate;2-methylbutane

ethyl carbonofluoridate;2-methylbutane (PubChem CID 91468718) has the molecular formula C8H17FO2 and a molecular weight of 164.22 g/mol. Its IUPAC name is ethyl carbonofluoridate;2-methylbutane.

Molecular Properties

Compound Nameethyl carbonofluoridate;2-methylbutane
PubChem CID91468718
Molecular FormulaC8H17FO2
Molecular Weight164.22 g/mol
Exact Mass164.12
IUPAC Nameethyl carbonofluoridate;2-methylbutane
SMILESCCC(C)C.CCOC(=O)F
InChIInChI=1S/C5H12.C3H5FO2/c1-4-5(2)3;1-2-6-3(4)5/h5H,4H2,1-3H3;2H2,1H3
InChIKeyZBCITVSPDHGHCM-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.22
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl carbonofluoridate;2-methylbutane?
The IUPAC name of ethyl carbonofluoridate;2-methylbutane (CID 91468718) is ethyl carbonofluoridate;2-methylbutane.
What is the SMILES notation for ethyl carbonofluoridate;2-methylbutane?
The canonical SMILES for ethyl carbonofluoridate;2-methylbutane is CCC(C)C.CCOC(=O)F.
What is the InChIKey of ethyl carbonofluoridate;2-methylbutane?
The InChIKey is ZBCITVSPDHGHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C3H5FO2/c1-4-5(2)3;1-2-6-3(4)5/h5H,4H2,1-3H3;2H2,1H3.
What are the key properties of ethyl carbonofluoridate;2-methylbutane?
ethyl carbonofluoridate;2-methylbutane has a molecular weight of 164.22 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl carbonofluoridate;2-methylbutane is sourced from PubChem (CID 91468718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).