(E)-1-chloro-2-(fluoromethyl)but-2-ene

C5H8ClF — CID 143148543

IUPAC(E)-1-chloro-2-(fluoromethyl)but-2-ene
SMILESC/C=C(\CF)CCl
InChIInChI=1S/C5H8ClF/c1-2-5(3-6)4-7/h2H,3-4H2,1H3/b5-2-
InChIKeyVPUTTYUXWNIQAP-DJWKRKHSSA-N
MW122.57 g/mol
LogP2.14
Rot. Bonds2

About (E)-1-chloro-2-(fluoromethyl)but-2-ene

(E)-1-chloro-2-(fluoromethyl)but-2-ene (PubChem CID 143148543) has the molecular formula C5H8ClF and a molecular weight of 122.57 g/mol. Its IUPAC name is (E)-1-chloro-2-(fluoromethyl)but-2-ene.

Molecular Properties

Compound Name(E)-1-chloro-2-(fluoromethyl)but-2-ene
PubChem CID143148543
Molecular FormulaC5H8ClF
Molecular Weight122.57 g/mol
Exact Mass122.03
IUPAC Name(E)-1-chloro-2-(fluoromethyl)but-2-ene
SMILESC/C=C(\CF)CCl
InChIInChI=1S/C5H8ClF/c1-2-5(3-6)4-7/h2H,3-4H2,1H3/b5-2-
InChIKeyVPUTTYUXWNIQAP-DJWKRKHSSA-N
XLogP2.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.57
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-chloro-2-(fluoromethyl)but-2-ene?
The IUPAC name of (E)-1-chloro-2-(fluoromethyl)but-2-ene (CID 143148543) is (E)-1-chloro-2-(fluoromethyl)but-2-ene.
What is the SMILES notation for (E)-1-chloro-2-(fluoromethyl)but-2-ene?
The canonical SMILES for (E)-1-chloro-2-(fluoromethyl)but-2-ene is C/C=C(\CF)CCl.
What is the InChIKey of (E)-1-chloro-2-(fluoromethyl)but-2-ene?
The InChIKey is VPUTTYUXWNIQAP-DJWKRKHSSA-N. The full InChI is InChI=1S/C5H8ClF/c1-2-5(3-6)4-7/h2H,3-4H2,1H3/b5-2-.
What are the key properties of (E)-1-chloro-2-(fluoromethyl)but-2-ene?
(E)-1-chloro-2-(fluoromethyl)but-2-ene has a molecular weight of 122.57 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-2-(fluoromethyl)but-2-ene is sourced from PubChem (CID 143148543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).