1-[4-fluoro-3-(methylamino)phenyl]ethanone

C9H10FNO — CID 67800838

IUPAC1-[4-fluoro-3-(methylamino)phenyl]ethanone
SMILESCNc1cc(C(C)=O)ccc1F
InChIInChI=1S/C9H10FNO/c1-6(12)7-3-4-8(10)9(5-7)11-2/h3-5,11H,1-2H3
InChIKeyHYJPBULCIDVIOG-UHFFFAOYSA-N
MW167.18 g/mol
LogP2.07
Rot. Bonds2

About 1-[4-fluoro-3-(methylamino)phenyl]ethanone

1-[4-fluoro-3-(methylamino)phenyl]ethanone (PubChem CID 67800838) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 1-[4-fluoro-3-(methylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-fluoro-3-(methylamino)phenyl]ethanone
PubChem CID67800838
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name1-[4-fluoro-3-(methylamino)phenyl]ethanone
SMILESCNc1cc(C(C)=O)ccc1F
InChIInChI=1S/C9H10FNO/c1-6(12)7-3-4-8(10)9(5-7)11-2/h3-5,11H,1-2H3
InChIKeyHYJPBULCIDVIOG-UHFFFAOYSA-N
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(methylamino)-3-nitrosophenyl]ethanone
CID 163775563
1-[4-fluoro-3-(3-methoxyanilino)phenyl]ethanone
CID 82535316
1-[3-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4-fluorophenyl]ethanone
CID 110453023
1-[4-fluoro-3-[(2-methoxyphenyl)methylamino]phenyl]ethanone
CID 82535518
5-acetyl-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 118684023
1-[3-[(2S)-1,1-difluoropropan-2-yl]-4-fluorophenyl]ethanone
CID 126565552
phosphanyl 5-acetyl-2-fluorobenzoate
CID 21302444
N-(3,4-difluorophenyl)-3-methyl-4-(methylamino)benzamide
CID 63210412
4-fluoro-3-(methanesulfonamido)benzoic acid
CID 47002814
4-fluoro-3-(1,2,2-tricyanoethenylamino)benzoic acid
CID 168606194
1-[3-(3-chlorothiophen-2-yl)-4-fluorophenyl]ethanone
CID 107360532
1-(3-acetylphenyl)-3-(5-bromo-2-fluorophenyl)urea
CID 61345864

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(methylamino)phenyl]ethanone?
The IUPAC name of 1-[4-fluoro-3-(methylamino)phenyl]ethanone (CID 67800838) is 1-[4-fluoro-3-(methylamino)phenyl]ethanone.
What is the SMILES notation for 1-[4-fluoro-3-(methylamino)phenyl]ethanone?
The canonical SMILES for 1-[4-fluoro-3-(methylamino)phenyl]ethanone is CNc1cc(C(C)=O)ccc1F.
What is the InChIKey of 1-[4-fluoro-3-(methylamino)phenyl]ethanone?
The InChIKey is HYJPBULCIDVIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-6(12)7-3-4-8(10)9(5-7)11-2/h3-5,11H,1-2H3.
What are the key properties of 1-[4-fluoro-3-(methylamino)phenyl]ethanone?
1-[4-fluoro-3-(methylamino)phenyl]ethanone has a molecular weight of 167.18 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(methylamino)phenyl]ethanone is sourced from PubChem (CID 67800838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).