(Z)-4-ethyl-1,1,1-trifluorohept-2-ene

C9H15F3 — CID 88982294

IUPAC(Z)-4-ethyl-1,1,1-trifluorohept-2-ene
SMILESCCCC(/C=C\C(F)(F)F)CC
InChIInChI=1S/C9H15F3/c1-3-5-8(4-2)6-7-9(10,11)12/h6-8H,3-5H2,1-2H3/b7-6-
InChIKeyWHLBPOMXSWFFPY-SREVYHEPSA-N
MW180.21 g/mol
LogP3.93
Rot. Bonds4

About (Z)-4-ethyl-1,1,1-trifluorohept-2-ene

(Z)-4-ethyl-1,1,1-trifluorohept-2-ene (PubChem CID 88982294) has the molecular formula C9H15F3 and a molecular weight of 180.21 g/mol. Its IUPAC name is (Z)-4-ethyl-1,1,1-trifluorohept-2-ene.

Molecular Properties

Compound Name(Z)-4-ethyl-1,1,1-trifluorohept-2-ene
PubChem CID88982294
Molecular FormulaC9H15F3
Molecular Weight180.21 g/mol
Exact Mass180.11
IUPAC Name(Z)-4-ethyl-1,1,1-trifluorohept-2-ene
SMILESCCCC(/C=C\C(F)(F)F)CC
InChIInChI=1S/C9H15F3/c1-3-5-8(4-2)6-7-9(10,11)12/h6-8H,3-5H2,1-2H3/b7-6-
InChIKeyWHLBPOMXSWFFPY-SREVYHEPSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-ethyl-1,1,1-trifluorohept-2-ene?
The IUPAC name of (Z)-4-ethyl-1,1,1-trifluorohept-2-ene (CID 88982294) is (Z)-4-ethyl-1,1,1-trifluorohept-2-ene.
What is the SMILES notation for (Z)-4-ethyl-1,1,1-trifluorohept-2-ene?
The canonical SMILES for (Z)-4-ethyl-1,1,1-trifluorohept-2-ene is CCCC(/C=C\C(F)(F)F)CC.
What is the InChIKey of (Z)-4-ethyl-1,1,1-trifluorohept-2-ene?
The InChIKey is WHLBPOMXSWFFPY-SREVYHEPSA-N. The full InChI is InChI=1S/C9H15F3/c1-3-5-8(4-2)6-7-9(10,11)12/h6-8H,3-5H2,1-2H3/b7-6-.
What are the key properties of (Z)-4-ethyl-1,1,1-trifluorohept-2-ene?
(Z)-4-ethyl-1,1,1-trifluorohept-2-ene has a molecular weight of 180.21 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethyl-1,1,1-trifluorohept-2-ene is sourced from PubChem (CID 88982294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).