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

C7H8F4O — CID 87223480

IUPAC(E)-1-fluoro-4-(1,2,2-trifluoroethenoxy)pent-1-ene
SMILESCC(C/C=C/F)OC(F)=C(F)F
InChIInChI=1S/C7H8F4O/c1-5(3-2-4-8)12-7(11)6(9)10/h2,4-5H,3H2,1H3/b4-2+
InChIKeyLRQHQAQVAAZBFI-DUXPYHPUSA-N
MW184.13 g/mol
LogP3.30
Rot. Bonds4

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

(E)-1-fluoro-4-(1,2,2-trifluoroethenoxy)pent-1-ene (PubChem CID 87223480) has the molecular formula C7H8F4O and a molecular weight of 184.13 g/mol. Its IUPAC name is (E)-1-fluoro-4-(1,2,2-trifluoroethenoxy)pent-1-ene.

Molecular Properties

Compound Name(E)-1-fluoro-4-(1,2,2-trifluoroethenoxy)pent-1-ene
PubChem CID87223480
Molecular FormulaC7H8F4O
Molecular Weight184.13 g/mol
Exact Mass184.05
IUPAC Name(E)-1-fluoro-4-(1,2,2-trifluoroethenoxy)pent-1-ene
SMILESCC(C/C=C/F)OC(F)=C(F)F
InChIInChI=1S/C7H8F4O/c1-5(3-2-4-8)12-7(11)6(9)10/h2,4-5H,3H2,1H3/b4-2+
InChIKeyLRQHQAQVAAZBFI-DUXPYHPUSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-fluoro-4-(1,2,2-trifluoroethenoxy)pent-1-ene?
The IUPAC name of (E)-1-fluoro-4-(1,2,2-trifluoroethenoxy)pent-1-ene (CID 87223480) is (E)-1-fluoro-4-(1,2,2-trifluoroethenoxy)pent-1-ene.
What is the SMILES notation for (E)-1-fluoro-4-(1,2,2-trifluoroethenoxy)pent-1-ene?
The canonical SMILES for (E)-1-fluoro-4-(1,2,2-trifluoroethenoxy)pent-1-ene is CC(C/C=C/F)OC(F)=C(F)F.
What is the InChIKey of (E)-1-fluoro-4-(1,2,2-trifluoroethenoxy)pent-1-ene?
The InChIKey is LRQHQAQVAAZBFI-DUXPYHPUSA-N. The full InChI is InChI=1S/C7H8F4O/c1-5(3-2-4-8)12-7(11)6(9)10/h2,4-5H,3H2,1H3/b4-2+.
What are the key properties of (E)-1-fluoro-4-(1,2,2-trifluoroethenoxy)pent-1-ene?
(E)-1-fluoro-4-(1,2,2-trifluoroethenoxy)pent-1-ene has a molecular weight of 184.13 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-fluoro-4-(1,2,2-trifluoroethenoxy)pent-1-ene is sourced from PubChem (CID 87223480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).