(5-chloro-2-fluorophenyl)-(cyclopenten-1-yl)methanone

C12H10ClFO — CID 62079364

IUPAC(5-chloro-2-fluorophenyl)-(cyclopenten-1-yl)methanone
SMILESO=C(C1=CCCC1)c1cc(Cl)ccc1F
InChIInChI=1S/C12H10ClFO/c13-9-5-6-11(14)10(7-9)12(15)8-3-1-2-4-8/h3,5-7H,1-2,4H2
InChIKeySCIJKQUUGGFINS-UHFFFAOYSA-N
MW224.66 g/mol
LogP3.77
Rot. Bonds2

About (5-chloro-2-fluorophenyl)-(cyclopenten-1-yl)methanone

(5-chloro-2-fluorophenyl)-(cyclopenten-1-yl)methanone (PubChem CID 62079364) has the molecular formula C12H10ClFO and a molecular weight of 224.66 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(cyclopenten-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(cyclopenten-1-yl)methanone
PubChem CID62079364
Molecular FormulaC12H10ClFO
Molecular Weight224.66 g/mol
Exact Mass224.04
IUPAC Name(5-chloro-2-fluorophenyl)-(cyclopenten-1-yl)methanone
SMILESO=C(C1=CCCC1)c1cc(Cl)ccc1F
InChIInChI=1S/C12H10ClFO/c13-9-5-6-11(14)10(7-9)12(15)8-3-1-2-4-8/h3,5-7H,1-2,4H2
InChIKeySCIJKQUUGGFINS-UHFFFAOYSA-N
XLogP3.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.66
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(cyclopenten-1-yl)methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-(cyclopenten-1-yl)methanone (CID 62079364) is (5-chloro-2-fluorophenyl)-(cyclopenten-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(cyclopenten-1-yl)methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(cyclopenten-1-yl)methanone is O=C(C1=CCCC1)c1cc(Cl)ccc1F.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(cyclopenten-1-yl)methanone?
The InChIKey is SCIJKQUUGGFINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFO/c13-9-5-6-11(14)10(7-9)12(15)8-3-1-2-4-8/h3,5-7H,1-2,4H2.
What are the key properties of (5-chloro-2-fluorophenyl)-(cyclopenten-1-yl)methanone?
(5-chloro-2-fluorophenyl)-(cyclopenten-1-yl)methanone has a molecular weight of 224.66 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-(cyclopenten-1-yl)methanone is sourced from PubChem (CID 62079364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).