3-fluoropropyl trifluoromethyl carbonate

C5H6F4O3 — CID 20870997

IUPAC3-fluoropropyl trifluoromethyl carbonate
SMILESO=C(OCCCF)OC(F)(F)F
InChIInChI=1S/C5H6F4O3/c6-2-1-3-11-4(10)12-5(7,8)9/h1-3H2
InChIKeyHCBVIVXDXKNBNZ-UHFFFAOYSA-N
MW190.09 g/mol
LogP2.02
Rot. Bonds3

About 3-fluoropropyl trifluoromethyl carbonate

3-fluoropropyl trifluoromethyl carbonate (PubChem CID 20870997) has the molecular formula C5H6F4O3 and a molecular weight of 190.09 g/mol. Its IUPAC name is 3-fluoropropyl trifluoromethyl carbonate.

Molecular Properties

Compound Name3-fluoropropyl trifluoromethyl carbonate
PubChem CID20870997
Molecular FormulaC5H6F4O3
Molecular Weight190.09 g/mol
Exact Mass190.03
IUPAC Name3-fluoropropyl trifluoromethyl carbonate
SMILESO=C(OCCCF)OC(F)(F)F
InChIInChI=1S/C5H6F4O3/c6-2-1-3-11-4(10)12-5(7,8)9/h1-3H2
InChIKeyHCBVIVXDXKNBNZ-UHFFFAOYSA-N
XLogP2.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.09
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoropropyl trifluoromethyl carbonate?
The IUPAC name of 3-fluoropropyl trifluoromethyl carbonate (CID 20870997) is 3-fluoropropyl trifluoromethyl carbonate.
What is the SMILES notation for 3-fluoropropyl trifluoromethyl carbonate?
The canonical SMILES for 3-fluoropropyl trifluoromethyl carbonate is O=C(OCCCF)OC(F)(F)F.
What is the InChIKey of 3-fluoropropyl trifluoromethyl carbonate?
The InChIKey is HCBVIVXDXKNBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4O3/c6-2-1-3-11-4(10)12-5(7,8)9/h1-3H2.
What are the key properties of 3-fluoropropyl trifluoromethyl carbonate?
3-fluoropropyl trifluoromethyl carbonate has a molecular weight of 190.09 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropropyl trifluoromethyl carbonate is sourced from PubChem (CID 20870997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).