3-amino-1-(3-fluorophenyl)hexan-1-one

C12H16FNO — CID 116607934

IUPAC3-amino-1-(3-fluorophenyl)hexan-1-one
SMILESCCCC(N)CC(=O)c1cccc(F)c1
InChIInChI=1S/C12H16FNO/c1-2-4-11(14)8-12(15)9-5-3-6-10(13)7-9/h3,5-7,11H,2,4,8,14H2,1H3
InChIKeyRHWXXSKXVWELOK-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.53
Rot. Bonds5

About 3-amino-1-(3-fluorophenyl)hexan-1-one

3-amino-1-(3-fluorophenyl)hexan-1-one (PubChem CID 116607934) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 3-amino-1-(3-fluorophenyl)hexan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-fluorophenyl)hexan-1-one
PubChem CID116607934
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name3-amino-1-(3-fluorophenyl)hexan-1-one
SMILESCCCC(N)CC(=O)c1cccc(F)c1
InChIInChI=1S/C12H16FNO/c1-2-4-11(14)8-12(15)9-5-3-6-10(13)7-9/h3,5-7,11H,2,4,8,14H2,1H3
InChIKeyRHWXXSKXVWELOK-UHFFFAOYSA-N
XLogP2.53
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 116607864
3-amino-1-phenyloctadecan-1-one
CID 54040118
1-(3-fluorophenyl)-2-methoxypentan-1-one
CID 116708296
1-(3-fluorophenyl)-3,5,5-trimethylhexan-1-one
CID 114962701
3-amino-1-(3-ethylphenyl)pentan-1-one
CID 116609074
1-(3-fluorophenyl)-2-methylselanylethanone
CID 146165454
3-fluoro-1-(3-fluorophenyl)propan-1-one
CID 56986088
2-amino-2-chloro-1-(3-fluorophenyl)ethanone
CID 19068512
2-amino-1-(3-fluorophenyl)-4-methylsulfonylbutan-1-one
CID 116552047
2-amino-1-(3-fluorophenyl)-4-methoxybutan-1-one
CID 116567366

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-fluorophenyl)hexan-1-one?
The IUPAC name of 3-amino-1-(3-fluorophenyl)hexan-1-one (CID 116607934) is 3-amino-1-(3-fluorophenyl)hexan-1-one.
What is the SMILES notation for 3-amino-1-(3-fluorophenyl)hexan-1-one?
The canonical SMILES for 3-amino-1-(3-fluorophenyl)hexan-1-one is CCCC(N)CC(=O)c1cccc(F)c1.
What is the InChIKey of 3-amino-1-(3-fluorophenyl)hexan-1-one?
The InChIKey is RHWXXSKXVWELOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-2-4-11(14)8-12(15)9-5-3-6-10(13)7-9/h3,5-7,11H,2,4,8,14H2,1H3.
What are the key properties of 3-amino-1-(3-fluorophenyl)hexan-1-one?
3-amino-1-(3-fluorophenyl)hexan-1-one has a molecular weight of 209.26 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-fluorophenyl)hexan-1-one is sourced from PubChem (CID 116607934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).