1-[3-(aminomethyl)phenyl]-2-fluoro-2-hydroxyethanone

C9H10FNO2 — CID 174940425

IUPAC1-[3-(aminomethyl)phenyl]-2-fluoro-2-hydroxyethanone
SMILESNCc1cccc(C(=O)C(O)F)c1
InChIInChI=1S/C9H10FNO2/c10-9(13)8(12)7-3-1-2-6(4-7)5-11/h1-4,9,13H,5,11H2
InChIKeyZAUHFACCIUITNB-UHFFFAOYSA-N
MW183.18 g/mol
LogP0.62
Rot. Bonds3

About 1-[3-(aminomethyl)phenyl]-2-fluoro-2-hydroxyethanone

1-[3-(aminomethyl)phenyl]-2-fluoro-2-hydroxyethanone (PubChem CID 174940425) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-2-fluoro-2-hydroxyethanone.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-2-fluoro-2-hydroxyethanone
PubChem CID174940425
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name1-[3-(aminomethyl)phenyl]-2-fluoro-2-hydroxyethanone
SMILESNCc1cccc(C(=O)C(O)F)c1
InChIInChI=1S/C9H10FNO2/c10-9(13)8(12)7-3-1-2-6(4-7)5-11/h1-4,9,13H,5,11H2
InChIKeyZAUHFACCIUITNB-UHFFFAOYSA-N
XLogP0.62
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106289370
ethyl 3-(aminomethyl)benzoate
CID 15079215
3-(aminomethyl)-N-methylbenzamide;ethane
CID 143416429
3-(aminomethyl)-N-(2,6-difluorophenyl)benzamide
CID 28974181
methyl 3-(aminomethyl)benzoate;molecular hydrogen
CID 144769732
3-(aminomethyl)-N-ethylbenzamide
CID 16777664
3-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]benzamide
CID 62995433
4-methylpentan-2-yl 3-(aminomethyl)benzoate
CID 61278416
3-(aminomethyl)-N-butan-2-ylbenzamide
CID 16778307
butan-2-yl 3-(aminomethyl)benzoate
CID 60903488
3-amino-1-[3-(2,2-difluoroethyl)phenyl]propan-1-one
CID 117303825
[3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanamine
CID 130564880

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-2-fluoro-2-hydroxyethanone?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-2-fluoro-2-hydroxyethanone (CID 174940425) is 1-[3-(aminomethyl)phenyl]-2-fluoro-2-hydroxyethanone.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-2-fluoro-2-hydroxyethanone?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-2-fluoro-2-hydroxyethanone is NCc1cccc(C(=O)C(O)F)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-2-fluoro-2-hydroxyethanone?
The InChIKey is ZAUHFACCIUITNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c10-9(13)8(12)7-3-1-2-6(4-7)5-11/h1-4,9,13H,5,11H2.
What are the key properties of 1-[3-(aminomethyl)phenyl]-2-fluoro-2-hydroxyethanone?
1-[3-(aminomethyl)phenyl]-2-fluoro-2-hydroxyethanone has a molecular weight of 183.18 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-2-fluoro-2-hydroxyethanone is sourced from PubChem (CID 174940425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).