(E)-1-chloro-1-fluoro-3-methylbut-1-ene

C5H8ClF — CID 23384730

IUPAC(E)-1-chloro-1-fluoro-3-methylbut-1-ene
SMILESCC(C)/C=C(\F)Cl
InChIInChI=1S/C5H8ClF/c1-4(2)3-5(6)7/h3-4H,1-2H3/b5-3-
InChIKeyZCMOVQVRIVPXTG-HYXAFXHYSA-N
MW122.57 g/mol
LogP2.69
Rot. Bonds1

About (E)-1-chloro-1-fluoro-3-methylbut-1-ene

(E)-1-chloro-1-fluoro-3-methylbut-1-ene (PubChem CID 23384730) has the molecular formula C5H8ClF and a molecular weight of 122.57 g/mol. Its IUPAC name is (E)-1-chloro-1-fluoro-3-methylbut-1-ene.

Molecular Properties

Compound Name(E)-1-chloro-1-fluoro-3-methylbut-1-ene
PubChem CID23384730
Molecular FormulaC5H8ClF
Molecular Weight122.57 g/mol
Exact Mass122.03
IUPAC Name(E)-1-chloro-1-fluoro-3-methylbut-1-ene
SMILESCC(C)/C=C(\F)Cl
InChIInChI=1S/C5H8ClF/c1-4(2)3-5(6)7/h3-4H,1-2H3/b5-3-
InChIKeyZCMOVQVRIVPXTG-HYXAFXHYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.57
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (E)-1-chloro-1-fluoro-3-methylbut-1-ene?
The IUPAC name of (E)-1-chloro-1-fluoro-3-methylbut-1-ene (CID 23384730) is (E)-1-chloro-1-fluoro-3-methylbut-1-ene.
What is the SMILES notation for (E)-1-chloro-1-fluoro-3-methylbut-1-ene?
The canonical SMILES for (E)-1-chloro-1-fluoro-3-methylbut-1-ene is CC(C)/C=C(\F)Cl.
What is the InChIKey of (E)-1-chloro-1-fluoro-3-methylbut-1-ene?
The InChIKey is ZCMOVQVRIVPXTG-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H8ClF/c1-4(2)3-5(6)7/h3-4H,1-2H3/b5-3-.
What are the key properties of (E)-1-chloro-1-fluoro-3-methylbut-1-ene?
(E)-1-chloro-1-fluoro-3-methylbut-1-ene has a molecular weight of 122.57 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-1-fluoro-3-methylbut-1-ene is sourced from PubChem (CID 23384730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).