(3-aminocyclopentyl)-(2,6-difluoro-3-methylphenyl)methanone

C13H15F2NO — CID 116587316

IUPAC(3-aminocyclopentyl)-(2,6-difluoro-3-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)C2CCC(N)C2)c1F
InChIInChI=1S/C13H15F2NO/c1-7-2-5-10(14)11(12(7)15)13(17)8-3-4-9(16)6-8/h2,5,8-9H,3-4,6,16H2,1H3
InChIKeyDTAJYMUXHFQHGI-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.58
Rot. Bonds2

About (3-aminocyclopentyl)-(2,6-difluoro-3-methylphenyl)methanone

(3-aminocyclopentyl)-(2,6-difluoro-3-methylphenyl)methanone (PubChem CID 116587316) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is (3-aminocyclopentyl)-(2,6-difluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(3-aminocyclopentyl)-(2,6-difluoro-3-methylphenyl)methanone
PubChem CID116587316
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC Name(3-aminocyclopentyl)-(2,6-difluoro-3-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)C2CCC(N)C2)c1F
InChIInChI=1S/C13H15F2NO/c1-7-2-5-10(14)11(12(7)15)13(17)8-3-4-9(16)6-8/h2,5,8-9H,3-4,6,16H2,1H3
InChIKeyDTAJYMUXHFQHGI-UHFFFAOYSA-N
XLogP2.58
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminocyclohexyl)-(2,6-difluorophenyl)methanone
CID 116568844
(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 82823016
cis-(1R,3S)-3-[(2,6-difluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321294
(3-aminocyclopentyl)-(4-methylphenyl)methanone
CID 116587095
3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide
CID 66032471
(3-aminopyrrolidin-1-yl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82815863
3-N-(2,6-difluoro-3-methylphenyl)cyclopentane-1,3-diamine
CID 82818304
3-amino-N-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 119698450
1-(3-aminocyclopentyl)-2-(3-bromo-2,6-difluorophenyl)ethanone
CID 114166852
(3-amino-5-methylpiperidin-1-yl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82816396
(3-aminocyclopentyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103397145
2-cycloheptyl-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 115794245

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-(2,6-difluoro-3-methylphenyl)methanone?
The IUPAC name of (3-aminocyclopentyl)-(2,6-difluoro-3-methylphenyl)methanone (CID 116587316) is (3-aminocyclopentyl)-(2,6-difluoro-3-methylphenyl)methanone.
What is the SMILES notation for (3-aminocyclopentyl)-(2,6-difluoro-3-methylphenyl)methanone?
The canonical SMILES for (3-aminocyclopentyl)-(2,6-difluoro-3-methylphenyl)methanone is Cc1ccc(F)c(C(=O)C2CCC(N)C2)c1F.
What is the InChIKey of (3-aminocyclopentyl)-(2,6-difluoro-3-methylphenyl)methanone?
The InChIKey is DTAJYMUXHFQHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c1-7-2-5-10(14)11(12(7)15)13(17)8-3-4-9(16)6-8/h2,5,8-9H,3-4,6,16H2,1H3.
What are the key properties of (3-aminocyclopentyl)-(2,6-difluoro-3-methylphenyl)methanone?
(3-aminocyclopentyl)-(2,6-difluoro-3-methylphenyl)methanone has a molecular weight of 239.26 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-(2,6-difluoro-3-methylphenyl)methanone is sourced from PubChem (CID 116587316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).