1-(2-amino-3-fluorophenyl)-2-cyclohexylethanone

C14H18FNO — CID 116597683

IUPAC1-(2-amino-3-fluorophenyl)-2-cyclohexylethanone
SMILESNc1c(F)cccc1C(=O)CC1CCCCC1
InChIInChI=1S/C14H18FNO/c15-12-8-4-7-11(14(12)16)13(17)9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9,16H2
InChIKeyBCXGARVXMWSPJX-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.56
Rot. Bonds3

About 1-(2-amino-3-fluorophenyl)-2-cyclohexylethanone

1-(2-amino-3-fluorophenyl)-2-cyclohexylethanone (PubChem CID 116597683) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-(2-amino-3-fluorophenyl)-2-cyclohexylethanone.

Molecular Properties

Compound Name1-(2-amino-3-fluorophenyl)-2-cyclohexylethanone
PubChem CID116597683
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-(2-amino-3-fluorophenyl)-2-cyclohexylethanone
SMILESNc1c(F)cccc1C(=O)CC1CCCCC1
InChIInChI=1S/C14H18FNO/c15-12-8-4-7-11(14(12)16)13(17)9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9,16H2
InChIKeyBCXGARVXMWSPJX-UHFFFAOYSA-N
XLogP3.56
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-3-fluorophenyl)-2-(3,3-difluorocyclohexyl)ethanone
CID 114225591
2-amino-N-cyclohexyl-3-fluorobenzamide
CID 55099758
2-cyclohexyl-1-(4-fluoro-1H-indol-3-yl)ethanone
CID 82793212
1-(2-chlorophenyl)-2-cyclohexylethanone
CID 62622311
2-cycloheptyl-1-(2,4-difluorophenyl)ethanone
CID 114457285
2-[(2-cycloheptylacetyl)amino]-3-fluorobenzoic acid
CID 114457210
1-(2-bromo-6-fluorophenyl)-2-cyclopentylethanone
CID 114885274
3-amino-4-(2-cyclohexylacetyl)pyridine-2-carboxylic acid
CID 70124111
N-[3-(2-cyclononylacetyl)-2-hydroxyphenyl]formamide
CID 148506055
1-(2-amino-3-fluorophenyl)but-3-yn-1-one
CID 116597523
2-amino-N-cyclopentyl-3-fluoro-N-(2-hydroxyethyl)benzamide
CID 62662448
N-[5-(2-cyclohexylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide
CID 59156534

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-fluorophenyl)-2-cyclohexylethanone?
The IUPAC name of 1-(2-amino-3-fluorophenyl)-2-cyclohexylethanone (CID 116597683) is 1-(2-amino-3-fluorophenyl)-2-cyclohexylethanone.
What is the SMILES notation for 1-(2-amino-3-fluorophenyl)-2-cyclohexylethanone?
The canonical SMILES for 1-(2-amino-3-fluorophenyl)-2-cyclohexylethanone is Nc1c(F)cccc1C(=O)CC1CCCCC1.
What is the InChIKey of 1-(2-amino-3-fluorophenyl)-2-cyclohexylethanone?
The InChIKey is BCXGARVXMWSPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c15-12-8-4-7-11(14(12)16)13(17)9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9,16H2.
What are the key properties of 1-(2-amino-3-fluorophenyl)-2-cyclohexylethanone?
1-(2-amino-3-fluorophenyl)-2-cyclohexylethanone has a molecular weight of 235.30 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-fluorophenyl)-2-cyclohexylethanone is sourced from PubChem (CID 116597683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).