1-(4-amino-2-fluorophenyl)ethanone

C8H8FNO — CID 14621110

IUPAC1-(4-amino-2-fluorophenyl)ethanone
SMILESCC(=O)c1ccc(N)cc1F
InChIInChI=1S/C8H8FNO/c1-5(11)7-3-2-6(10)4-8(7)9/h2-4H,10H2,1H3
InChIKeyCSRMETUFNPMTCM-UHFFFAOYSA-N
MW153.16 g/mol
LogP1.61
Rot. Bonds1

About 1-(4-amino-2-fluorophenyl)ethanone

1-(4-amino-2-fluorophenyl)ethanone (PubChem CID 14621110) has the molecular formula C8H8FNO and a molecular weight of 153.16 g/mol. Its IUPAC name is 1-(4-amino-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-amino-2-fluorophenyl)ethanone
PubChem CID14621110
Molecular FormulaC8H8FNO
Molecular Weight153.16 g/mol
Exact Mass153.06
IUPAC Name1-(4-amino-2-fluorophenyl)ethanone
SMILESCC(=O)c1ccc(N)cc1F
InChIInChI=1S/C8H8FNO/c1-5(11)7-3-2-6(10)4-8(7)9/h2-4H,10H2,1H3
InChIKeyCSRMETUFNPMTCM-UHFFFAOYSA-N
XLogP1.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 51.61
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-(4-amino-2-fluorophenyl)ethanone;hydrochloride
CID 118817764
1-(4-amino-2-fluorophenyl)-2-chloroethanone;ethane
CID 142097721
1-(4-chloro-2-fluorophenyl)ethanone;ethane
CID 142194505
4-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide
CID 107581615
carbamoyl 4-amino-2-fluorobenzoate
CID 88539668
4-amino-2-fluorobenzenecarbothioamide
CID 91875250
4-amino-2-fluorobenzohydrazide;formic acid
CID 175317690
3-fluoro-4-[1-(methylamino)ethenyl]aniline
CID 59420225
1-(2-acetyl-4-aminophenyl)-2-methylpropan-1-one
CID 177054609
4-amino-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65104066
(4-amino-2-fluorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106666987
2-[(4-amino-2-fluorobenzoyl)-(carboxymethyl)amino]acetic acid
CID 107794503

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-fluorophenyl)ethanone?
The IUPAC name of 1-(4-amino-2-fluorophenyl)ethanone (CID 14621110) is 1-(4-amino-2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(4-amino-2-fluorophenyl)ethanone?
The canonical SMILES for 1-(4-amino-2-fluorophenyl)ethanone is CC(=O)c1ccc(N)cc1F.
What is the InChIKey of 1-(4-amino-2-fluorophenyl)ethanone?
The InChIKey is CSRMETUFNPMTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO/c1-5(11)7-3-2-6(10)4-8(7)9/h2-4H,10H2,1H3.
What are the key properties of 1-(4-amino-2-fluorophenyl)ethanone?
1-(4-amino-2-fluorophenyl)ethanone has a molecular weight of 153.16 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-fluorophenyl)ethanone is sourced from PubChem (CID 14621110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).