(5-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone

C17H23FO — CID 114970598

IUPAC(5-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
SMILESCc1ccc(F)cc1C(=O)C1(CC(C)C)CCCC1
InChIInChI=1S/C17H23FO/c1-12(2)11-17(8-4-5-9-17)16(19)15-10-14(18)7-6-13(15)3/h6-7,10,12H,4-5,8-9,11H2,1-3H3
InChIKeyHASRFJVCCDPLPU-UHFFFAOYSA-N
MW262.37 g/mol
LogP4.92
Rot. Bonds4

About (5-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone

(5-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone (PubChem CID 114970598) has the molecular formula C17H23FO and a molecular weight of 262.37 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
PubChem CID114970598
Molecular FormulaC17H23FO
Molecular Weight262.37 g/mol
Exact Mass262.17
IUPAC Name(5-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
SMILESCc1ccc(F)cc1C(=O)C1(CC(C)C)CCCC1
InChIInChI=1S/C17H23FO/c1-12(2)11-17(8-4-5-9-17)16(19)15-10-14(18)7-6-13(15)3/h6-7,10,12H,4-5,8-9,11H2,1-3H3
InChIKeyHASRFJVCCDPLPU-UHFFFAOYSA-N
XLogP4.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114970746
(4-fluoro-2,6-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 106877039
(1-aminocyclopentyl)-(5-fluoro-2-methylphenyl)methanone
CID 116558686
(2,3-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114970137
(1-ethylcyclopentyl)-(4-fluoro-2-methylphenyl)methanone
CID 114970764
(1-aminocyclobutyl)-(5-fluoro-2-methylphenyl)methanone
CID 116598341
(3-bromo-2-fluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 106647512
(4,4-difluorocyclohexyl)-(5-fluoro-2-methylphenyl)methanone
CID 105095400
1-(5-fluoro-2-methylphenyl)-5-methylhexan-1-one
CID 83157845
[1-(aminomethyl)cyclohexyl]-(2,3-difluoro-4-methylphenyl)methanone
CID 107514977
N-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluoro-2-methylbenzamide
CID 113294793
1-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119674013

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone?
The IUPAC name of (5-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone (CID 114970598) is (5-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone?
The canonical SMILES for (5-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone is Cc1ccc(F)cc1C(=O)C1(CC(C)C)CCCC1.
What is the InChIKey of (5-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone?
The InChIKey is HASRFJVCCDPLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FO/c1-12(2)11-17(8-4-5-9-17)16(19)15-10-14(18)7-6-13(15)3/h6-7,10,12H,4-5,8-9,11H2,1-3H3.
What are the key properties of (5-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone?
(5-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone has a molecular weight of 262.37 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone is sourced from PubChem (CID 114970598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).