4-(1,2,2-trifluoroethenoxy)pent-1-ene

C7H9F3O — CID 15606309

IUPAC4-(1,2,2-trifluoroethenoxy)pent-1-ene
SMILESC=CCC(C)OC(F)=C(F)F
InChIInChI=1S/C7H9F3O/c1-3-4-5(2)11-7(10)6(8)9/h3,5H,1,4H2,2H3
InChIKeyGIZSERHSTFDJDN-UHFFFAOYSA-N
MW166.14 g/mol
LogP3.00
Rot. Bonds4

About 4-(1,2,2-trifluoroethenoxy)pent-1-ene

4-(1,2,2-trifluoroethenoxy)pent-1-ene (PubChem CID 15606309) has the molecular formula C7H9F3O and a molecular weight of 166.14 g/mol. Its IUPAC name is 4-(1,2,2-trifluoroethenoxy)pent-1-ene.

Molecular Properties

Compound Name4-(1,2,2-trifluoroethenoxy)pent-1-ene
PubChem CID15606309
Molecular FormulaC7H9F3O
Molecular Weight166.14 g/mol
Exact Mass166.06
IUPAC Name4-(1,2,2-trifluoroethenoxy)pent-1-ene
SMILESC=CCC(C)OC(F)=C(F)F
InChIInChI=1S/C7H9F3O/c1-3-4-5(2)11-7(10)6(8)9/h3,5H,1,4H2,2H3
InChIKeyGIZSERHSTFDJDN-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,2-trifluoroethenoxy)pent-1-ene?
The IUPAC name of 4-(1,2,2-trifluoroethenoxy)pent-1-ene (CID 15606309) is 4-(1,2,2-trifluoroethenoxy)pent-1-ene.
What is the SMILES notation for 4-(1,2,2-trifluoroethenoxy)pent-1-ene?
The canonical SMILES for 4-(1,2,2-trifluoroethenoxy)pent-1-ene is C=CCC(C)OC(F)=C(F)F.
What is the InChIKey of 4-(1,2,2-trifluoroethenoxy)pent-1-ene?
The InChIKey is GIZSERHSTFDJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O/c1-3-4-5(2)11-7(10)6(8)9/h3,5H,1,4H2,2H3.
What are the key properties of 4-(1,2,2-trifluoroethenoxy)pent-1-ene?
4-(1,2,2-trifluoroethenoxy)pent-1-ene has a molecular weight of 166.14 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,2-trifluoroethenoxy)pent-1-ene is sourced from PubChem (CID 15606309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).