1-[3-(2-fluoropropylamino)phenyl]ethanone

C11H14FNO — CID 84666212

IUPAC1-[3-(2-fluoropropylamino)phenyl]ethanone
SMILESCC(=O)c1cccc(NCC(C)F)c1
InChIInChI=1S/C11H14FNO/c1-8(12)7-13-11-5-3-4-10(6-11)9(2)14/h3-6,8,13H,7H2,1-2H3
InChIKeyNGMKSWZEQVRWIM-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.66
Rot. Bonds4

About 1-[3-(2-fluoropropylamino)phenyl]ethanone

1-[3-(2-fluoropropylamino)phenyl]ethanone (PubChem CID 84666212) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 1-[3-(2-fluoropropylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(2-fluoropropylamino)phenyl]ethanone
PubChem CID84666212
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name1-[3-(2-fluoropropylamino)phenyl]ethanone
SMILESCC(=O)c1cccc(NCC(C)F)c1
InChIInChI=1S/C11H14FNO/c1-8(12)7-13-11-5-3-4-10(6-11)9(2)14/h3-6,8,13H,7H2,1-2H3
InChIKeyNGMKSWZEQVRWIM-UHFFFAOYSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(4-amino-3-methylbutyl)amino]phenyl]ethanone
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1-[3-(2,2,2-trifluoroethylamino)phenyl]ethanone
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1-[3-(2-methylprop-2-enylamino)phenyl]ethanone
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2-(3-acetylanilino)-N-[(2R)-butan-2-yl]acetamide
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N'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide
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N-(3-acetylphenyl)-3,4,4-trimethylpentanamide
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CID 121364926
1-(3-acetylphenyl)-3-[(2R)-3-hydroxy-2-methylpropyl]urea
CID 94819199
N-(3-acetylphenyl)propanamide
CID 903063
1-[3-[2-(2-chlorophenyl)ethylamino]phenyl]ethanone
CID 75397038
3-(2,4-dimethylpentylamino)benzamide
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methyl 3-[(3-methoxy-2-methyl-3-oxopropyl)amino]benzoate
CID 82316702

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoropropylamino)phenyl]ethanone?
The IUPAC name of 1-[3-(2-fluoropropylamino)phenyl]ethanone (CID 84666212) is 1-[3-(2-fluoropropylamino)phenyl]ethanone.
What is the SMILES notation for 1-[3-(2-fluoropropylamino)phenyl]ethanone?
The canonical SMILES for 1-[3-(2-fluoropropylamino)phenyl]ethanone is CC(=O)c1cccc(NCC(C)F)c1.
What is the InChIKey of 1-[3-(2-fluoropropylamino)phenyl]ethanone?
The InChIKey is NGMKSWZEQVRWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-8(12)7-13-11-5-3-4-10(6-11)9(2)14/h3-6,8,13H,7H2,1-2H3.
What are the key properties of 1-[3-(2-fluoropropylamino)phenyl]ethanone?
1-[3-(2-fluoropropylamino)phenyl]ethanone has a molecular weight of 195.24 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluoropropylamino)phenyl]ethanone is sourced from PubChem (CID 84666212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).