(4E)-2-chloro-4-fluorohexa-1,4-diene

C6H8ClF — CID 131999813

IUPAC(4E)-2-chloro-4-fluorohexa-1,4-diene
SMILESC=C(Cl)C/C(F)=C\C
InChIInChI=1S/C6H8ClF/c1-3-6(8)4-5(2)7/h3H,2,4H2,1H3/b6-3+
InChIKeyXQZDSUYEFVNVIM-ZZXKWVIFSA-N
MW134.58 g/mol
LogP3.00
Rot. Bonds2

About (4E)-2-chloro-4-fluorohexa-1,4-diene

(4E)-2-chloro-4-fluorohexa-1,4-diene (PubChem CID 131999813) has the molecular formula C6H8ClF and a molecular weight of 134.58 g/mol. Its IUPAC name is (4E)-2-chloro-4-fluorohexa-1,4-diene.

Molecular Properties

Compound Name(4E)-2-chloro-4-fluorohexa-1,4-diene
PubChem CID131999813
Molecular FormulaC6H8ClF
Molecular Weight134.58 g/mol
Exact Mass134.03
IUPAC Name(4E)-2-chloro-4-fluorohexa-1,4-diene
SMILESC=C(Cl)C/C(F)=C\C
InChIInChI=1S/C6H8ClF/c1-3-6(8)4-5(2)7/h3H,2,4H2,1H3/b6-3+
InChIKeyXQZDSUYEFVNVIM-ZZXKWVIFSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.58
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(Z)-3-Chloro-2-pentene
CID 12705708
2-Chloro-2-pentene
CID 5463222
(E)-2-chloro-pent-2-ene
CID 5463223
cis-3-Chloro-3-hexene
CID 5462940
(E)-3-Chloro-3-hexene
CID 12550105
3-Chloro-2-pentene
CID 54072147
3-Hexene, 3-chloro-
CID 519371
4-Chloro-hept-3-ene
CID 21572682
Chloro-methyl butene
CID 142578
(Z)-3-Chlorhex-2-en
CID 12734570
(e)-3-Chloro-2-hexene
CID 88589144
(E)-3-chloro-4-fluorohex-3-ene
CID 12545942

Frequently Asked Questions

What is the IUPAC name of (4E)-2-chloro-4-fluorohexa-1,4-diene?
The IUPAC name of (4E)-2-chloro-4-fluorohexa-1,4-diene (CID 131999813) is (4E)-2-chloro-4-fluorohexa-1,4-diene.
What is the SMILES notation for (4E)-2-chloro-4-fluorohexa-1,4-diene?
The canonical SMILES for (4E)-2-chloro-4-fluorohexa-1,4-diene is C=C(Cl)C/C(F)=C\C.
What is the InChIKey of (4E)-2-chloro-4-fluorohexa-1,4-diene?
The InChIKey is XQZDSUYEFVNVIM-ZZXKWVIFSA-N. The full InChI is InChI=1S/C6H8ClF/c1-3-6(8)4-5(2)7/h3H,2,4H2,1H3/b6-3+.
What are the key properties of (4E)-2-chloro-4-fluorohexa-1,4-diene?
(4E)-2-chloro-4-fluorohexa-1,4-diene has a molecular weight of 134.58 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-chloro-4-fluorohexa-1,4-diene is sourced from PubChem (CID 131999813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).