1-(2-aminocyclohexyl)-2-(4-chloro-2-fluorophenyl)ethanone

C14H17ClFNO — CID 114863391

IUPAC1-(2-aminocyclohexyl)-2-(4-chloro-2-fluorophenyl)ethanone
SMILESNC1CCCCC1C(=O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C14H17ClFNO/c15-10-6-5-9(12(16)8-10)7-14(18)11-3-1-2-4-13(11)17/h5-6,8,11,13H,1-4,7,17H2
InChIKeyNKBVZRCYIKZYAG-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.11
Rot. Bonds3

About 1-(2-aminocyclohexyl)-2-(4-chloro-2-fluorophenyl)ethanone

1-(2-aminocyclohexyl)-2-(4-chloro-2-fluorophenyl)ethanone (PubChem CID 114863391) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is 1-(2-aminocyclohexyl)-2-(4-chloro-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-aminocyclohexyl)-2-(4-chloro-2-fluorophenyl)ethanone
PubChem CID114863391
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC Name1-(2-aminocyclohexyl)-2-(4-chloro-2-fluorophenyl)ethanone
SMILESNC1CCCCC1C(=O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C14H17ClFNO/c15-10-6-5-9(12(16)8-10)7-14(18)11-3-1-2-4-13(11)17/h5-6,8,11,13H,1-4,7,17H2
InChIKeyNKBVZRCYIKZYAG-UHFFFAOYSA-N
XLogP3.11
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminocyclohexyl)-2-(2,5-dichlorophenyl)ethanone
CID 116579933
1-(2-aminocyclohexyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 116579921
1-(2-aminocyclopentyl)-2-(2,5-dichlorophenyl)ethanone
CID 116580230
2-(4-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 114853673
1-(2-aminocycloheptyl)-2-(2-chloro-5-fluorophenyl)ethanone
CID 102622181
1-(2-aminocycloheptyl)-2-(5-bromo-2-fluorophenyl)ethanone
CID 116595335
1-(2-aminocyclopentyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107890100
2-(4-chloro-2-fluorophenyl)-1-piperidin-4-ylethanone
CID 114863179
2-amino-N-(5-chloro-2-fluorophenyl)cyclohexane-1-carboxamide
CID 64822915
2-[(4-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxylic acid
CID 114862572
1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone
CID 116595083
2-(4-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone
CID 114853742

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclohexyl)-2-(4-chloro-2-fluorophenyl)ethanone?
The IUPAC name of 1-(2-aminocyclohexyl)-2-(4-chloro-2-fluorophenyl)ethanone (CID 114863391) is 1-(2-aminocyclohexyl)-2-(4-chloro-2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2-aminocyclohexyl)-2-(4-chloro-2-fluorophenyl)ethanone?
The canonical SMILES for 1-(2-aminocyclohexyl)-2-(4-chloro-2-fluorophenyl)ethanone is NC1CCCCC1C(=O)Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-(2-aminocyclohexyl)-2-(4-chloro-2-fluorophenyl)ethanone?
The InChIKey is NKBVZRCYIKZYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c15-10-6-5-9(12(16)8-10)7-14(18)11-3-1-2-4-13(11)17/h5-6,8,11,13H,1-4,7,17H2.
What are the key properties of 1-(2-aminocyclohexyl)-2-(4-chloro-2-fluorophenyl)ethanone?
1-(2-aminocyclohexyl)-2-(4-chloro-2-fluorophenyl)ethanone has a molecular weight of 269.75 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclohexyl)-2-(4-chloro-2-fluorophenyl)ethanone is sourced from PubChem (CID 114863391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).