1-[2-(2-fluoroethylamino)phenyl]ethanone

C10H12FNO — CID 84657873

IUPAC1-[2-(2-fluoroethylamino)phenyl]ethanone
SMILESCC(=O)c1ccccc1NCCF
InChIInChI=1S/C10H12FNO/c1-8(13)9-4-2-3-5-10(9)12-7-6-11/h2-5,12H,6-7H2,1H3
InChIKeyJBEKGMNVSMYJMR-UHFFFAOYSA-N
MW181.21 g/mol
LogP2.27
Rot. Bonds4

About 1-[2-(2-fluoroethylamino)phenyl]ethanone

1-[2-(2-fluoroethylamino)phenyl]ethanone (PubChem CID 84657873) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 1-[2-(2-fluoroethylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-fluoroethylamino)phenyl]ethanone
PubChem CID84657873
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name1-[2-(2-fluoroethylamino)phenyl]ethanone
SMILESCC(=O)c1ccccc1NCCF
InChIInChI=1S/C10H12FNO/c1-8(13)9-4-2-3-5-10(9)12-7-6-11/h2-5,12H,6-7H2,1H3
InChIKeyJBEKGMNVSMYJMR-UHFFFAOYSA-N
XLogP2.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 66553833
CID 66553833
2-(2-fluoroethylamino)benzenecarbothioamide
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2-(2-acetylanilino)-N-phenylacetamide
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5-bromo-2-(2-fluoroethylamino)benzoic acid
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2-ethoxy-N-(2-fluoroethyl)aniline
CID 80699443
1-[2-[(3-bromophenyl)methylamino]phenyl]ethanone
CID 102579783
2-(2-acetylanilino)-N-(tert-butylcarbamoyl)acetamide
CID 26526540
2-(2-acetylanilino)-N-(5-chloro-2-fluorophenyl)acetamide
CID 46633480
2-(2-acetylanilino)-N-(4-tert-butylphenyl)acetamide
CID 9103726
1-(2-acetylphenyl)ethanone;methane
CID 158210616
2-(2-carbonochloridoylanilino)ethyl acetate
CID 87983968

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoroethylamino)phenyl]ethanone?
The IUPAC name of 1-[2-(2-fluoroethylamino)phenyl]ethanone (CID 84657873) is 1-[2-(2-fluoroethylamino)phenyl]ethanone.
What is the SMILES notation for 1-[2-(2-fluoroethylamino)phenyl]ethanone?
The canonical SMILES for 1-[2-(2-fluoroethylamino)phenyl]ethanone is CC(=O)c1ccccc1NCCF.
What is the InChIKey of 1-[2-(2-fluoroethylamino)phenyl]ethanone?
The InChIKey is JBEKGMNVSMYJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-8(13)9-4-2-3-5-10(9)12-7-6-11/h2-5,12H,6-7H2,1H3.
What are the key properties of 1-[2-(2-fluoroethylamino)phenyl]ethanone?
1-[2-(2-fluoroethylamino)phenyl]ethanone has a molecular weight of 181.21 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoroethylamino)phenyl]ethanone is sourced from PubChem (CID 84657873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).