1-(2-amino-6-fluorophenyl)propan-1-one

C9H10FNO — CID 14773127

IUPAC1-(2-amino-6-fluorophenyl)propan-1-one
SMILESCCC(=O)c1c(N)cccc1F
InChIInChI=1S/C9H10FNO/c1-2-8(12)9-6(10)4-3-5-7(9)11/h3-5H,2,11H2,1H3
InChIKeyOXVBDGVQQSYSKI-UHFFFAOYSA-N
MW167.18 g/mol
LogP2.00
Rot. Bonds2

About 1-(2-amino-6-fluorophenyl)propan-1-one

1-(2-amino-6-fluorophenyl)propan-1-one (PubChem CID 14773127) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 1-(2-amino-6-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-(2-amino-6-fluorophenyl)propan-1-one
PubChem CID14773127
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name1-(2-amino-6-fluorophenyl)propan-1-one
SMILESCCC(=O)c1c(N)cccc1F
InChIInChI=1S/C9H10FNO/c1-2-8(12)9-6(10)4-3-5-7(9)11/h3-5H,2,11H2,1H3
InChIKeyOXVBDGVQQSYSKI-UHFFFAOYSA-N
XLogP2.00
TPSA43.09 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 ≤ 52.00
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-(2-amino-6-fluorophenyl)butan-1-one
CID 58906429
ethane;1-(2-fluoro-6-hydroxyphenyl)propan-1-one
CID 161428232
1-(2-ethyl-6-fluorophenyl)propan-1-one
CID 118835757
propyl 2-amino-6-fluorobenzoate
CID 43443196
butan-2-yl 2-amino-6-fluorobenzoate
CID 60904386
2-amino-6-fluoro-N-hydroxybenzamide
CID 11643995
(2-amino-6-fluorophenyl) propanoate
CID 70075863
1-(2,3-diaminophenyl)propan-1-one
CID 14773132
ethyl 2,6-difluorobenzoate
CID 519631
methyl 2-(2-amino-6-fluorophenyl)prop-2-enoate
CID 174756276
2-amino-1-(2,6-difluorophenyl)ethanone;hydrochloride
CID 44717362
1-(2,3-difluorophenyl)propan-1-one;ethane
CID 158876194

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-fluorophenyl)propan-1-one?
The IUPAC name of 1-(2-amino-6-fluorophenyl)propan-1-one (CID 14773127) is 1-(2-amino-6-fluorophenyl)propan-1-one.
What is the SMILES notation for 1-(2-amino-6-fluorophenyl)propan-1-one?
The canonical SMILES for 1-(2-amino-6-fluorophenyl)propan-1-one is CCC(=O)c1c(N)cccc1F.
What is the InChIKey of 1-(2-amino-6-fluorophenyl)propan-1-one?
The InChIKey is OXVBDGVQQSYSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-2-8(12)9-6(10)4-3-5-7(9)11/h3-5H,2,11H2,1H3.
What are the key properties of 1-(2-amino-6-fluorophenyl)propan-1-one?
1-(2-amino-6-fluorophenyl)propan-1-one has a molecular weight of 167.18 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-fluorophenyl)propan-1-one is sourced from PubChem (CID 14773127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).