1,1,2-trifluoropropyl formate

C4H5F3O2 — CID 173059931

IUPAC1,1,2-trifluoropropyl formate
SMILESCC(F)C(F)(F)OC=O
InChIInChI=1S/C4H5F3O2/c1-3(5)4(6,7)9-2-8/h2-3H,1H3
InChIKeyXLHWNEPETYREMJ-UHFFFAOYSA-N
MW142.08 g/mol
LogP1.11
Rot. Bonds3

About 1,1,2-trifluoropropyl formate

1,1,2-trifluoropropyl formate (PubChem CID 173059931) has the molecular formula C4H5F3O2 and a molecular weight of 142.08 g/mol. Its IUPAC name is 1,1,2-trifluoropropyl formate.

Molecular Properties

Compound Name1,1,2-trifluoropropyl formate
PubChem CID173059931
Molecular FormulaC4H5F3O2
Molecular Weight142.08 g/mol
Exact Mass142.02
IUPAC Name1,1,2-trifluoropropyl formate
SMILESCC(F)C(F)(F)OC=O
InChIInChI=1S/C4H5F3O2/c1-3(5)4(6,7)9-2-8/h2-3H,1H3
InChIKeyXLHWNEPETYREMJ-UHFFFAOYSA-N
XLogP1.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.08
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoropropyl formate?
The IUPAC name of 1,1,2-trifluoropropyl formate (CID 173059931) is 1,1,2-trifluoropropyl formate.
What is the SMILES notation for 1,1,2-trifluoropropyl formate?
The canonical SMILES for 1,1,2-trifluoropropyl formate is CC(F)C(F)(F)OC=O.
What is the InChIKey of 1,1,2-trifluoropropyl formate?
The InChIKey is XLHWNEPETYREMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O2/c1-3(5)4(6,7)9-2-8/h2-3H,1H3.
What are the key properties of 1,1,2-trifluoropropyl formate?
1,1,2-trifluoropropyl formate has a molecular weight of 142.08 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoropropyl formate is sourced from PubChem (CID 173059931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).