[(E)-4-(4-chlorophenyl)-2-(4-fluorophenyl)but-1-enyl] formate

C17H14ClFO2 — CID 88580908

IUPAC[(E)-4-(4-chlorophenyl)-2-(4-fluorophenyl)but-1-enyl] formate
SMILESO=CO/C=C(\CCc1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H14ClFO2/c18-16-7-2-13(3-8-16)1-4-15(11-21-12-20)14-5-9-17(19)10-6-14/h2-3,5-12H,1,4H2/b15-11+
InChIKeySKEACAXORZHJEM-RVDMUPIBSA-N
MW304.75 g/mol
LogP4.63
Rot. Bonds6

About [(E)-4-(4-chlorophenyl)-2-(4-fluorophenyl)but-1-enyl] formate

[(E)-4-(4-chlorophenyl)-2-(4-fluorophenyl)but-1-enyl] formate (PubChem CID 88580908) has the molecular formula C17H14ClFO2 and a molecular weight of 304.75 g/mol. Its IUPAC name is [(E)-4-(4-chlorophenyl)-2-(4-fluorophenyl)but-1-enyl] formate.

Molecular Properties

Compound Name[(E)-4-(4-chlorophenyl)-2-(4-fluorophenyl)but-1-enyl] formate
PubChem CID88580908
Molecular FormulaC17H14ClFO2
Molecular Weight304.75 g/mol
Exact Mass304.07
IUPAC Name[(E)-4-(4-chlorophenyl)-2-(4-fluorophenyl)but-1-enyl] formate
SMILESO=CO/C=C(\CCc1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H14ClFO2/c18-16-7-2-13(3-8-16)1-4-15(11-21-12-20)14-5-9-17(19)10-6-14/h2-3,5-12H,1,4H2/b15-11+
InChIKeySKEACAXORZHJEM-RVDMUPIBSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[4-(4-chlorophenyl)-2-(3-fluorophenyl)but-1-enyl] formate
CID 123550691
[(E)-4-(4-ethylphenyl)-2-phenylbut-1-enyl] formate
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[4-(4-methylsulfanylphenyl)-2-phenylbut-1-enyl] formate
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[(E)-2,4-dinaphthalen-2-ylbut-1-enyl] formate
CID 88580923
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(Z)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoic acid
CID 66759556
(4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 21275348
(4-chlorophenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate
CID 23366848
1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]ethanone
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2-[(4-chlorophenyl)methylamino]-1-(4-fluorophenyl)ethanone
CID 82101505
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474

Frequently Asked Questions

What is the IUPAC name of [(E)-4-(4-chlorophenyl)-2-(4-fluorophenyl)but-1-enyl] formate?
The IUPAC name of [(E)-4-(4-chlorophenyl)-2-(4-fluorophenyl)but-1-enyl] formate (CID 88580908) is [(E)-4-(4-chlorophenyl)-2-(4-fluorophenyl)but-1-enyl] formate.
What is the SMILES notation for [(E)-4-(4-chlorophenyl)-2-(4-fluorophenyl)but-1-enyl] formate?
The canonical SMILES for [(E)-4-(4-chlorophenyl)-2-(4-fluorophenyl)but-1-enyl] formate is O=CO/C=C(\CCc1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of [(E)-4-(4-chlorophenyl)-2-(4-fluorophenyl)but-1-enyl] formate?
The InChIKey is SKEACAXORZHJEM-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H14ClFO2/c18-16-7-2-13(3-8-16)1-4-15(11-21-12-20)14-5-9-17(19)10-6-14/h2-3,5-12H,1,4H2/b15-11+.
What are the key properties of [(E)-4-(4-chlorophenyl)-2-(4-fluorophenyl)but-1-enyl] formate?
[(E)-4-(4-chlorophenyl)-2-(4-fluorophenyl)but-1-enyl] formate has a molecular weight of 304.75 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-(4-chlorophenyl)-2-(4-fluorophenyl)but-1-enyl] formate is sourced from PubChem (CID 88580908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).