2-(2-chloro-5-fluorophenyl)-1-(cyclohexen-1-yl)ethanone

C14H14ClFO — CID 103449893

IUPAC2-(2-chloro-5-fluorophenyl)-1-(cyclohexen-1-yl)ethanone
SMILESO=C(Cc1cc(F)ccc1Cl)C1=CCCCC1
InChIInChI=1S/C14H14ClFO/c15-13-7-6-12(16)8-11(13)9-14(17)10-4-2-1-3-5-10/h4,6-8H,1-3,5,9H2
InChIKeyGDSLKHDQOJBBQX-UHFFFAOYSA-N
MW252.72 g/mol
LogP4.09
Rot. Bonds3

About 2-(2-chloro-5-fluorophenyl)-1-(cyclohexen-1-yl)ethanone

2-(2-chloro-5-fluorophenyl)-1-(cyclohexen-1-yl)ethanone (PubChem CID 103449893) has the molecular formula C14H14ClFO and a molecular weight of 252.72 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(cyclohexen-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(cyclohexen-1-yl)ethanone
PubChem CID103449893
Molecular FormulaC14H14ClFO
Molecular Weight252.72 g/mol
Exact Mass252.07
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(cyclohexen-1-yl)ethanone
SMILESO=C(Cc1cc(F)ccc1Cl)C1=CCCCC1
InChIInChI=1S/C14H14ClFO/c15-13-7-6-12(16)8-11(13)9-14(17)10-4-2-1-3-5-10/h4,6-8H,1-3,5,9H2
InChIKeyGDSLKHDQOJBBQX-UHFFFAOYSA-N
XLogP4.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.72
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(cyclohexen-1-yl)ethanone?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(cyclohexen-1-yl)ethanone (CID 103449893) is 2-(2-chloro-5-fluorophenyl)-1-(cyclohexen-1-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(cyclohexen-1-yl)ethanone?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(cyclohexen-1-yl)ethanone is O=C(Cc1cc(F)ccc1Cl)C1=CCCCC1.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(cyclohexen-1-yl)ethanone?
The InChIKey is GDSLKHDQOJBBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFO/c15-13-7-6-12(16)8-11(13)9-14(17)10-4-2-1-3-5-10/h4,6-8H,1-3,5,9H2.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(cyclohexen-1-yl)ethanone?
2-(2-chloro-5-fluorophenyl)-1-(cyclohexen-1-yl)ethanone has a molecular weight of 252.72 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-1-(cyclohexen-1-yl)ethanone is sourced from PubChem (CID 103449893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).