5-fluoro-5-(1,2,2-trifluoroethenoxy)pent-1-ene

C7H8F4O — CID 139688808

IUPAC5-fluoro-5-(1,2,2-trifluoroethenoxy)pent-1-ene
SMILESC=CCCC(F)OC(F)=C(F)F
InChIInChI=1S/C7H8F4O/c1-2-3-4-5(8)12-7(11)6(9)10/h2,5H,1,3-4H2
InChIKeyNRGJUASHKLJRBU-UHFFFAOYSA-N
MW184.13 g/mol
LogP3.30
Rot. Bonds5

About 5-fluoro-5-(1,2,2-trifluoroethenoxy)pent-1-ene

5-fluoro-5-(1,2,2-trifluoroethenoxy)pent-1-ene (PubChem CID 139688808) has the molecular formula C7H8F4O and a molecular weight of 184.13 g/mol. Its IUPAC name is 5-fluoro-5-(1,2,2-trifluoroethenoxy)pent-1-ene.

Molecular Properties

Compound Name5-fluoro-5-(1,2,2-trifluoroethenoxy)pent-1-ene
PubChem CID139688808
Molecular FormulaC7H8F4O
Molecular Weight184.13 g/mol
Exact Mass184.05
IUPAC Name5-fluoro-5-(1,2,2-trifluoroethenoxy)pent-1-ene
SMILESC=CCCC(F)OC(F)=C(F)F
InChIInChI=1S/C7H8F4O/c1-2-3-4-5(8)12-7(11)6(9)10/h2,5H,1,3-4H2
InChIKeyNRGJUASHKLJRBU-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.13
LogP ≤ 53.30
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 5-fluoro-5-(1,2,2-trifluoroethenoxy)pent-1-ene?
The IUPAC name of 5-fluoro-5-(1,2,2-trifluoroethenoxy)pent-1-ene (CID 139688808) is 5-fluoro-5-(1,2,2-trifluoroethenoxy)pent-1-ene.
What is the SMILES notation for 5-fluoro-5-(1,2,2-trifluoroethenoxy)pent-1-ene?
The canonical SMILES for 5-fluoro-5-(1,2,2-trifluoroethenoxy)pent-1-ene is C=CCCC(F)OC(F)=C(F)F.
What is the InChIKey of 5-fluoro-5-(1,2,2-trifluoroethenoxy)pent-1-ene?
The InChIKey is NRGJUASHKLJRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4O/c1-2-3-4-5(8)12-7(11)6(9)10/h2,5H,1,3-4H2.
What are the key properties of 5-fluoro-5-(1,2,2-trifluoroethenoxy)pent-1-ene?
5-fluoro-5-(1,2,2-trifluoroethenoxy)pent-1-ene has a molecular weight of 184.13 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-5-(1,2,2-trifluoroethenoxy)pent-1-ene is sourced from PubChem (CID 139688808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).