(2-chloro-4-fluorophenyl)-(2-cyclobutylphenyl)methanone

C17H14ClFO — CID 114601820

IUPAC(2-chloro-4-fluorophenyl)-(2-cyclobutylphenyl)methanone
SMILESO=C(c1ccc(F)cc1Cl)c1ccccc1C1CCC1
InChIInChI=1S/C17H14ClFO/c18-16-10-12(19)8-9-15(16)17(20)14-7-2-1-6-13(14)11-4-3-5-11/h1-2,6-11H,3-5H2
InChIKeyXTAMRBGRZBILMU-UHFFFAOYSA-N
MW288.75 g/mol
LogP4.98
Rot. Bonds3

About (2-chloro-4-fluorophenyl)-(2-cyclobutylphenyl)methanone

(2-chloro-4-fluorophenyl)-(2-cyclobutylphenyl)methanone (PubChem CID 114601820) has the molecular formula C17H14ClFO and a molecular weight of 288.75 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-(2-cyclobutylphenyl)methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-(2-cyclobutylphenyl)methanone
PubChem CID114601820
Molecular FormulaC17H14ClFO
Molecular Weight288.75 g/mol
Exact Mass288.07
IUPAC Name(2-chloro-4-fluorophenyl)-(2-cyclobutylphenyl)methanone
SMILESO=C(c1ccc(F)cc1Cl)c1ccccc1C1CCC1
InChIInChI=1S/C17H14ClFO/c18-16-10-12(19)8-9-15(16)17(20)14-7-2-1-6-13(14)11-4-3-5-11/h1-2,6-11H,3-5H2
InChIKeyXTAMRBGRZBILMU-UHFFFAOYSA-N
XLogP4.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-(2-cyclobutylphenyl)methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-(2-cyclobutylphenyl)methanone (CID 114601820) is (2-chloro-4-fluorophenyl)-(2-cyclobutylphenyl)methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-(2-cyclobutylphenyl)methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-(2-cyclobutylphenyl)methanone is O=C(c1ccc(F)cc1Cl)c1ccccc1C1CCC1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-(2-cyclobutylphenyl)methanone?
The InChIKey is XTAMRBGRZBILMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFO/c18-16-10-12(19)8-9-15(16)17(20)14-7-2-1-6-13(14)11-4-3-5-11/h1-2,6-11H,3-5H2.
What are the key properties of (2-chloro-4-fluorophenyl)-(2-cyclobutylphenyl)methanone?
(2-chloro-4-fluorophenyl)-(2-cyclobutylphenyl)methanone has a molecular weight of 288.75 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-(2-cyclobutylphenyl)methanone is sourced from PubChem (CID 114601820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).