1-[4-fluoro-3-(hydroxymethyl)phenyl]-2-(methylamino)ethanone

C10H12FNO2 — CID 117286820

IUPAC1-[4-fluoro-3-(hydroxymethyl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc(F)c(CO)c1
InChIInChI=1S/C10H12FNO2/c1-12-5-10(14)7-2-3-9(11)8(4-7)6-13/h2-4,12-13H,5-6H2,1H3
InChIKeyDFXVBUJIBDAZNA-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.72
Rot. Bonds4

About 1-[4-fluoro-3-(hydroxymethyl)phenyl]-2-(methylamino)ethanone

1-[4-fluoro-3-(hydroxymethyl)phenyl]-2-(methylamino)ethanone (PubChem CID 117286820) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 1-[4-fluoro-3-(hydroxymethyl)phenyl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[4-fluoro-3-(hydroxymethyl)phenyl]-2-(methylamino)ethanone
PubChem CID117286820
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name1-[4-fluoro-3-(hydroxymethyl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc(F)c(CO)c1
InChIInChI=1S/C10H12FNO2/c1-12-5-10(14)7-2-3-9(11)8(4-7)6-13/h2-4,12-13H,5-6H2,1H3
InChIKeyDFXVBUJIBDAZNA-UHFFFAOYSA-N
XLogP0.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-3-methylphenyl)-2-(methylamino)ethanone
CID 82075088
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 84698309
4-fluoro-3-(hydroxymethyl)benzamide
CID 43558815
1-(3-fluoro-4-pentan-3-ylphenyl)-2-(methylamino)ethanone
CID 117347376
1-[3,4-bis(methylsulfanyl)phenyl]-2-(methylamino)ethanone
CID 117355944
1-(3,4-diethoxyphenyl)-2-(methylamino)ethanone
CID 116553831
1-(2-chloro-4-pyridinyl)-2-(methylamino)ethanone
CID 82655374
1-(1,3-benzothiazol-5-yl)-2-(methylamino)ethanone
CID 82492234
1-(3-amino-4-ethoxyphenyl)-2-(methylamino)ethanone
CID 82258591
1-[4-(1,2-dihydroxyethyl)phenyl]-2-(methylamino)ethanone
CID 117298432
2-(methylamino)-1-(6-methyl-3-pyridinyl)ethanone
CID 82596607
N-[2-[5-(2-chloroacetyl)-2-fluorophenyl]ethyl]acetamide
CID 71755478

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(hydroxymethyl)phenyl]-2-(methylamino)ethanone?
The IUPAC name of 1-[4-fluoro-3-(hydroxymethyl)phenyl]-2-(methylamino)ethanone (CID 117286820) is 1-[4-fluoro-3-(hydroxymethyl)phenyl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[4-fluoro-3-(hydroxymethyl)phenyl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[4-fluoro-3-(hydroxymethyl)phenyl]-2-(methylamino)ethanone is CNCC(=O)c1ccc(F)c(CO)c1.
What is the InChIKey of 1-[4-fluoro-3-(hydroxymethyl)phenyl]-2-(methylamino)ethanone?
The InChIKey is DFXVBUJIBDAZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-12-5-10(14)7-2-3-9(11)8(4-7)6-13/h2-4,12-13H,5-6H2,1H3.
What are the key properties of 1-[4-fluoro-3-(hydroxymethyl)phenyl]-2-(methylamino)ethanone?
1-[4-fluoro-3-(hydroxymethyl)phenyl]-2-(methylamino)ethanone has a molecular weight of 197.21 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(hydroxymethyl)phenyl]-2-(methylamino)ethanone is sourced from PubChem (CID 117286820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).