2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]bicyclo[2.2.1]heptane

C15H17Cl2F — CID 63518133

IUPAC2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]bicyclo[2.2.1]heptane
SMILESFc1cccc(Cl)c1CC(Cl)C1CC2CCC1C2
InChIInChI=1S/C15H17Cl2F/c16-13-2-1-3-15(18)12(13)8-14(17)11-7-9-4-5-10(11)6-9/h1-3,9-11,14H,4-8H2
InChIKeyIHDGYXXHNPGQQT-UHFFFAOYSA-N
MW287.20 g/mol
LogP5.07
Rot. Bonds3

About 2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]bicyclo[2.2.1]heptane

2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]bicyclo[2.2.1]heptane (PubChem CID 63518133) has the molecular formula C15H17Cl2F and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]bicyclo[2.2.1]heptane
PubChem CID63518133
Molecular FormulaC15H17Cl2F
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]bicyclo[2.2.1]heptane
SMILESFc1cccc(Cl)c1CC(Cl)C1CC2CCC1C2
InChIInChI=1S/C15H17Cl2F/c16-13-2-1-3-15(18)12(13)8-14(17)11-7-9-4-5-10(11)6-9/h1-3,9-11,14H,4-8H2
InChIKeyIHDGYXXHNPGQQT-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.20
LogP ≤ 55.07
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-[chloro(cyclohexyl)methyl]benzene
CID 86209125
1-Chloro-2-[2-chloro-1-(2-fluorophenyl)ethenyl]benzene
CID 53694216
2-Chloro-1-cyclopentyl-4-fluorobenzene
CID 57685625
2-Chloro-1-[chloro(phenyl)methyl]-4-fluorobenzene
CID 63428687
1-Chloro-2-[chloro(phenyl)methyl]-3-fluorobenzene
CID 63428809
1-Chloro-2-[chloro-(2-fluorophenyl)methyl]benzene
CID 67036775
1-Chloro-2-cyclohexyl-3-fluorobenzene
CID 69145892
1-(Chloromethyl)-2-(2-chlorophenyl)-4-fluorobenzene
CID 69293103
1-Chloro-2-[1-chloro-2-(4-fluorophenyl)prop-2-enyl]benzene
CID 69293885
1-chloro-2-[(Z)-3-chloro-2-(4-fluorophenyl)prop-2-enyl]benzene
CID 71306812
1-chloro-2-[(E)-2-chloro-1-(2-fluorophenyl)ethenyl]benzene
CID 88471308
[3-(2-Chloro-4-fluorophenyl)cyclopentyl]cyclooctane
CID 132077472

Frequently Asked Questions

What is the IUPAC name of 2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]bicyclo[2.2.1]heptane?
The IUPAC name of 2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]bicyclo[2.2.1]heptane (CID 63518133) is 2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]bicyclo[2.2.1]heptane?
The canonical SMILES for 2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]bicyclo[2.2.1]heptane is Fc1cccc(Cl)c1CC(Cl)C1CC2CCC1C2.
What is the InChIKey of 2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]bicyclo[2.2.1]heptane?
The InChIKey is IHDGYXXHNPGQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2F/c16-13-2-1-3-15(18)12(13)8-14(17)11-7-9-4-5-10(11)6-9/h1-3,9-11,14H,4-8H2.
What are the key properties of 2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]bicyclo[2.2.1]heptane?
2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]bicyclo[2.2.1]heptane has a molecular weight of 287.20 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 63518133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).