propyl carbonofluoridate

C4H7FO2 — CID 12545972

IUPACpropyl carbonofluoridate
SMILESCCCOC(=O)F
InChIInChI=1S/C4H7FO2/c1-2-3-7-4(5)6/h2-3H2,1H3
InChIKeyKDZDOTCTYBXDOY-UHFFFAOYSA-N
MW106.10 g/mol
LogP1.50
Rot. Bonds2

About propyl carbonofluoridate

propyl carbonofluoridate (PubChem CID 12545972) has the molecular formula C4H7FO2 and a molecular weight of 106.10 g/mol. Its IUPAC name is propyl carbonofluoridate.

Molecular Properties

Compound Namepropyl carbonofluoridate
PubChem CID12545972
Molecular FormulaC4H7FO2
Molecular Weight106.10 g/mol
Exact Mass106.04
IUPAC Namepropyl carbonofluoridate
SMILESCCCOC(=O)F
InChIInChI=1S/C4H7FO2/c1-2-3-7-4(5)6/h2-3H2,1H3
InChIKeyKDZDOTCTYBXDOY-UHFFFAOYSA-N
XLogP1.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.10
LogP ≤ 51.50
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 propyl carbonofluoridate?
The IUPAC name of propyl carbonofluoridate (CID 12545972) is propyl carbonofluoridate.
What is the SMILES notation for propyl carbonofluoridate?
The canonical SMILES for propyl carbonofluoridate is CCCOC(=O)F.
What is the InChIKey of propyl carbonofluoridate?
The InChIKey is KDZDOTCTYBXDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO2/c1-2-3-7-4(5)6/h2-3H2,1H3.
What are the key properties of propyl carbonofluoridate?
propyl carbonofluoridate has a molecular weight of 106.10 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl carbonofluoridate is sourced from PubChem (CID 12545972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).