7-[chloro-(2,4-difluorophenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene

C15H11ClF2 — CID 66395575

IUPAC7-[chloro-(2,4-difluorophenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene
SMILESFc1ccc(C(Cl)C2Cc3ccccc32)c(F)c1
InChIInChI=1S/C15H11ClF2/c16-15(12-6-5-10(17)8-14(12)18)13-7-9-3-1-2-4-11(9)13/h1-6,8,13,15H,7H2
InChIKeyKTVFZCKAGUWGIY-UHFFFAOYSA-N
MW264.70 g/mol
LogP4.58
Rot. Bonds2

About 7-[chloro-(2,4-difluorophenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene

7-[chloro-(2,4-difluorophenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene (PubChem CID 66395575) has the molecular formula C15H11ClF2 and a molecular weight of 264.70 g/mol. Its IUPAC name is 7-[chloro-(2,4-difluorophenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene.

Molecular Properties

Compound Name7-[chloro-(2,4-difluorophenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene
PubChem CID66395575
Molecular FormulaC15H11ClF2
Molecular Weight264.70 g/mol
Exact Mass264.05
IUPAC Name7-[chloro-(2,4-difluorophenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene
SMILESFc1ccc(C(Cl)C2Cc3ccccc32)c(F)c1
InChIInChI=1S/C15H11ClF2/c16-15(12-6-5-10(17)8-14(12)18)13-7-9-3-1-2-4-11(9)13/h1-6,8,13,15H,7H2
InChIKeyKTVFZCKAGUWGIY-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.70
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[chloro-(2,4-difluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63433876
7-[chloro-(2,4-difluoro-5-methylphenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene
CID 79730357
7-[(3-bromo-4-fluorophenyl)-chloromethyl]bicyclo[4.2.0]octa-1,3,5-triene
CID 79746712
7-[chloro(phenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene
CID 66394223
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-chloro-5-fluorophenyl)methyl]hydrazine
CID 105397832
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 64984059
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 66394751
1-(2,4-difluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
CID 65411306
1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene
CID 61086405
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dichlorophenyl)methanol
CID 64986314
5-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(chloro)methyl]-3-bromo-2-chlorothiophene
CID 102836582
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-fluoronaphthalen-1-yl)methanol
CID 66395768

Frequently Asked Questions

What is the IUPAC name of 7-[chloro-(2,4-difluorophenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene?
The IUPAC name of 7-[chloro-(2,4-difluorophenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene (CID 66395575) is 7-[chloro-(2,4-difluorophenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene.
What is the SMILES notation for 7-[chloro-(2,4-difluorophenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene?
The canonical SMILES for 7-[chloro-(2,4-difluorophenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene is Fc1ccc(C(Cl)C2Cc3ccccc32)c(F)c1.
What is the InChIKey of 7-[chloro-(2,4-difluorophenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene?
The InChIKey is KTVFZCKAGUWGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2/c16-15(12-6-5-10(17)8-14(12)18)13-7-9-3-1-2-4-11(9)13/h1-6,8,13,15H,7H2.
What are the key properties of 7-[chloro-(2,4-difluorophenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene?
7-[chloro-(2,4-difluorophenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene has a molecular weight of 264.70 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[chloro-(2,4-difluorophenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene is sourced from PubChem (CID 66395575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).