(E)-3-chloro-1-fluorobut-2-ene

C4H6ClF — CID 142277240

IUPAC(E)-3-chloro-1-fluorobut-2-ene
SMILESC/C(Cl)=C\CF
InChIInChI=1S/C4H6ClF/c1-4(5)2-3-6/h2H,3H2,1H3/b4-2+
InChIKeyDGDNQZZGSWFBEV-DUXPYHPUSA-N
MW108.54 g/mol
LogP2.10
Rot. Bonds1

About (E)-3-chloro-1-fluorobut-2-ene

(E)-3-chloro-1-fluorobut-2-ene (PubChem CID 142277240) has the molecular formula C4H6ClF and a molecular weight of 108.54 g/mol. Its IUPAC name is (E)-3-chloro-1-fluorobut-2-ene.

Molecular Properties

Compound Name(E)-3-chloro-1-fluorobut-2-ene
PubChem CID142277240
Molecular FormulaC4H6ClF
Molecular Weight108.54 g/mol
Exact Mass108.01
IUPAC Name(E)-3-chloro-1-fluorobut-2-ene
SMILESC/C(Cl)=C\CF
InChIInChI=1S/C4H6ClF/c1-4(5)2-3-6/h2H,3H2,1H3/b4-2+
InChIKeyDGDNQZZGSWFBEV-DUXPYHPUSA-N
XLogP2.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.54
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-difluorobut-2-ene
CID 157259439
(E)-3-chloro-1-[(E)-3-chlorobut-2-enoxy]but-2-ene
CID 12583671
(E)-2-chlorohex-2-ene
CID 19796923
[(E)-3-chlorobut-2-enyl]-trimethylazanium
CID 54605638
2-chloroprop-1-en-1-amine
CID 151379752
4-fluoro-2-methylbut-2-enoic acid
CID 57003998
1-(3-chlorobut-2-enyl)aziridine
CID 71372371
(E)-6-chlorohept-5-en-1-ol
CID 89165631
[(Z)-3-chlorobut-2-enyl]-triethylazanium
CID 6034515
2-chloro-1-(2-chloroprop-1-enoxy)prop-1-ene
CID 140516361
[(Z)-3-chlorobut-2-enyl]-diethyl-methylazanium bromide
CID 134879813
(E)-3-chloro-1-(2-methylpropoxy)but-2-ene
CID 169180662

Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-1-fluorobut-2-ene?
The IUPAC name of (E)-3-chloro-1-fluorobut-2-ene (CID 142277240) is (E)-3-chloro-1-fluorobut-2-ene.
What is the SMILES notation for (E)-3-chloro-1-fluorobut-2-ene?
The canonical SMILES for (E)-3-chloro-1-fluorobut-2-ene is C/C(Cl)=C\CF.
What is the InChIKey of (E)-3-chloro-1-fluorobut-2-ene?
The InChIKey is DGDNQZZGSWFBEV-DUXPYHPUSA-N. The full InChI is InChI=1S/C4H6ClF/c1-4(5)2-3-6/h2H,3H2,1H3/b4-2+.
What are the key properties of (E)-3-chloro-1-fluorobut-2-ene?
(E)-3-chloro-1-fluorobut-2-ene has a molecular weight of 108.54 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-1-fluorobut-2-ene is sourced from PubChem (CID 142277240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).