(3E)-3-chloro-2-fluoropenta-1,3-diene

C5H6ClF — CID 143057342

IUPAC(3E)-3-chloro-2-fluoropenta-1,3-diene
SMILESC=C(F)/C(Cl)=C\C
InChIInChI=1S/C5H6ClF/c1-3-5(6)4(2)7/h3H,2H2,1H3/b5-3+
InChIKeyMZCJIEMMPGOPIW-HWKANZROSA-N
MW120.55 g/mol
LogP2.61
Rot. Bonds1

About (3E)-3-chloro-2-fluoropenta-1,3-diene

(3E)-3-chloro-2-fluoropenta-1,3-diene (PubChem CID 143057342) has the molecular formula C5H6ClF and a molecular weight of 120.55 g/mol. Its IUPAC name is (3E)-3-chloro-2-fluoropenta-1,3-diene.

Molecular Properties

Compound Name(3E)-3-chloro-2-fluoropenta-1,3-diene
PubChem CID143057342
Molecular FormulaC5H6ClF
Molecular Weight120.55 g/mol
Exact Mass120.01
IUPAC Name(3E)-3-chloro-2-fluoropenta-1,3-diene
SMILESC=C(F)/C(Cl)=C\C
InChIInChI=1S/C5H6ClF/c1-3-5(6)4(2)7/h3H,2H2,1H3/b5-3+
InChIKeyMZCJIEMMPGOPIW-HWKANZROSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.55
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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2-chloro-3-fluoroprop-1-ene;prop-1-ene
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(2E,4E)-3-chloro-4-methylhexa-2,4-diene
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Frequently Asked Questions

What is the IUPAC name of (3E)-3-chloro-2-fluoropenta-1,3-diene?
The IUPAC name of (3E)-3-chloro-2-fluoropenta-1,3-diene (CID 143057342) is (3E)-3-chloro-2-fluoropenta-1,3-diene.
What is the SMILES notation for (3E)-3-chloro-2-fluoropenta-1,3-diene?
The canonical SMILES for (3E)-3-chloro-2-fluoropenta-1,3-diene is C=C(F)/C(Cl)=C\C.
What is the InChIKey of (3E)-3-chloro-2-fluoropenta-1,3-diene?
The InChIKey is MZCJIEMMPGOPIW-HWKANZROSA-N. The full InChI is InChI=1S/C5H6ClF/c1-3-5(6)4(2)7/h3H,2H2,1H3/b5-3+.
What are the key properties of (3E)-3-chloro-2-fluoropenta-1,3-diene?
(3E)-3-chloro-2-fluoropenta-1,3-diene has a molecular weight of 120.55 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-chloro-2-fluoropenta-1,3-diene is sourced from PubChem (CID 143057342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).