(2-chloro-4-fluoro-5-methylphenyl)-(1-ethylcyclopentyl)methanone

C15H18ClFO — CID 81045264

IUPAC(2-chloro-4-fluoro-5-methylphenyl)-(1-ethylcyclopentyl)methanone
SMILESCCC1(C(=O)c2cc(C)c(F)cc2Cl)CCCC1
InChIInChI=1S/C15H18ClFO/c1-3-15(6-4-5-7-15)14(18)11-8-10(2)13(17)9-12(11)16/h8-9H,3-7H2,1-2H3
InChIKeyIKRYDLKHOPVMRB-UHFFFAOYSA-N
MW268.76 g/mol
LogP4.94
Rot. Bonds3

About (2-chloro-4-fluoro-5-methylphenyl)-(1-ethylcyclopentyl)methanone

(2-chloro-4-fluoro-5-methylphenyl)-(1-ethylcyclopentyl)methanone (PubChem CID 81045264) has the molecular formula C15H18ClFO and a molecular weight of 268.76 g/mol. Its IUPAC name is (2-chloro-4-fluoro-5-methylphenyl)-(1-ethylcyclopentyl)methanone.

Molecular Properties

Compound Name(2-chloro-4-fluoro-5-methylphenyl)-(1-ethylcyclopentyl)methanone
PubChem CID81045264
Molecular FormulaC15H18ClFO
Molecular Weight268.76 g/mol
Exact Mass268.10
IUPAC Name(2-chloro-4-fluoro-5-methylphenyl)-(1-ethylcyclopentyl)methanone
SMILESCCC1(C(=O)c2cc(C)c(F)cc2Cl)CCCC1
InChIInChI=1S/C15H18ClFO/c1-3-15(6-4-5-7-15)14(18)11-8-10(2)13(17)9-12(11)16/h8-9H,3-7H2,1-2H3
InChIKeyIKRYDLKHOPVMRB-UHFFFAOYSA-N
XLogP4.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.76
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(1-ethylcyclopentyl)methanone?
The IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(1-ethylcyclopentyl)methanone (CID 81045264) is (2-chloro-4-fluoro-5-methylphenyl)-(1-ethylcyclopentyl)methanone.
What is the SMILES notation for (2-chloro-4-fluoro-5-methylphenyl)-(1-ethylcyclopentyl)methanone?
The canonical SMILES for (2-chloro-4-fluoro-5-methylphenyl)-(1-ethylcyclopentyl)methanone is CCC1(C(=O)c2cc(C)c(F)cc2Cl)CCCC1.
What is the InChIKey of (2-chloro-4-fluoro-5-methylphenyl)-(1-ethylcyclopentyl)methanone?
The InChIKey is IKRYDLKHOPVMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFO/c1-3-15(6-4-5-7-15)14(18)11-8-10(2)13(17)9-12(11)16/h8-9H,3-7H2,1-2H3.
What are the key properties of (2-chloro-4-fluoro-5-methylphenyl)-(1-ethylcyclopentyl)methanone?
(2-chloro-4-fluoro-5-methylphenyl)-(1-ethylcyclopentyl)methanone has a molecular weight of 268.76 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluoro-5-methylphenyl)-(1-ethylcyclopentyl)methanone is sourced from PubChem (CID 81045264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).