3-ethenoxy-1,4,4-trifluoropentane

C7H11F3O — CID 54429715

IUPAC3-ethenoxy-1,4,4-trifluoropentane
SMILESC=COC(CCF)C(C)(F)F
InChIInChI=1S/C7H11F3O/c1-3-11-6(4-5-8)7(2,9)10/h3,6H,1,4-5H2,2H3
InChIKeyWGPMTPXZZFHWEE-UHFFFAOYSA-N
MW168.16 g/mol
LogP2.53
Rot. Bonds5

About 3-ethenoxy-1,4,4-trifluoropentane

3-ethenoxy-1,4,4-trifluoropentane (PubChem CID 54429715) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is 3-ethenoxy-1,4,4-trifluoropentane.

Molecular Properties

Compound Name3-ethenoxy-1,4,4-trifluoropentane
PubChem CID54429715
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name3-ethenoxy-1,4,4-trifluoropentane
SMILESC=COC(CCF)C(C)(F)F
InChIInChI=1S/C7H11F3O/c1-3-11-6(4-5-8)7(2,9)10/h3,6H,1,4-5H2,2H3
InChIKeyWGPMTPXZZFHWEE-UHFFFAOYSA-N
XLogP2.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-1,4,4-trifluoropentane?
The IUPAC name of 3-ethenoxy-1,4,4-trifluoropentane (CID 54429715) is 3-ethenoxy-1,4,4-trifluoropentane.
What is the SMILES notation for 3-ethenoxy-1,4,4-trifluoropentane?
The canonical SMILES for 3-ethenoxy-1,4,4-trifluoropentane is C=COC(CCF)C(C)(F)F.
What is the InChIKey of 3-ethenoxy-1,4,4-trifluoropentane?
The InChIKey is WGPMTPXZZFHWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O/c1-3-11-6(4-5-8)7(2,9)10/h3,6H,1,4-5H2,2H3.
What are the key properties of 3-ethenoxy-1,4,4-trifluoropentane?
3-ethenoxy-1,4,4-trifluoropentane has a molecular weight of 168.16 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-1,4,4-trifluoropentane is sourced from PubChem (CID 54429715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).