3-amino-1-[4-(3-fluoropropyl)phenyl]propan-1-one

C12H16FNO — CID 117298773

IUPAC3-amino-1-[4-(3-fluoropropyl)phenyl]propan-1-one
SMILESNCCC(=O)c1ccc(CCCF)cc1
InChIInChI=1S/C12H16FNO/c13-8-1-2-10-3-5-11(6-4-10)12(15)7-9-14/h3-6H,1-2,7-9,14H2
InChIKeyXHKXGVYVNYRSHX-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.12
Rot. Bonds6

About 3-amino-1-[4-(3-fluoropropyl)phenyl]propan-1-one

3-amino-1-[4-(3-fluoropropyl)phenyl]propan-1-one (PubChem CID 117298773) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 3-amino-1-[4-(3-fluoropropyl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(3-fluoropropyl)phenyl]propan-1-one
PubChem CID117298773
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name3-amino-1-[4-(3-fluoropropyl)phenyl]propan-1-one
SMILESNCCC(=O)c1ccc(CCCF)cc1
InChIInChI=1S/C12H16FNO/c13-8-1-2-10-3-5-11(6-4-10)12(15)7-9-14/h3-6H,1-2,7-9,14H2
InChIKeyXHKXGVYVNYRSHX-UHFFFAOYSA-N
XLogP2.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3-fluoropropyl)phenyl]ethanamine
CID 84658157
1-[4-(3-aminopropyl)phenyl]-3-[hydroxy(dimethyl)silyl]propan-1-one
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1-[4-(aminomethyl)phenyl]-3-phenylpropan-1-one
CID 116548233
4-(4-benzoylphenyl)-1-phenylbutan-1-one
CID 15737707
4-(4-butylphenyl)-4-oxobutanamide
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3-[4-(3-fluoropropyl)phenyl]imino-1-phenylpropan-1-one
CID 123966811
1-(4-bromophenyl)-4-fluorobutan-1-one
CID 67476935
1,6-bis[4-(2-bromoethyl)phenyl]hexane-1,6-dione
CID 165348518
3-amino-1-[3-(fluoromethyl)phenyl]propan-1-one
CID 117278674
2-[4-(3-fluoropropyl)phenyl]ethanol
CID 117279232
1-[4-[3-(4-propanoylphenyl)propyl]phenyl]propan-1-one
CID 134887749
2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
CID 58311916

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(3-fluoropropyl)phenyl]propan-1-one?
The IUPAC name of 3-amino-1-[4-(3-fluoropropyl)phenyl]propan-1-one (CID 117298773) is 3-amino-1-[4-(3-fluoropropyl)phenyl]propan-1-one.
What is the SMILES notation for 3-amino-1-[4-(3-fluoropropyl)phenyl]propan-1-one?
The canonical SMILES for 3-amino-1-[4-(3-fluoropropyl)phenyl]propan-1-one is NCCC(=O)c1ccc(CCCF)cc1.
What is the InChIKey of 3-amino-1-[4-(3-fluoropropyl)phenyl]propan-1-one?
The InChIKey is XHKXGVYVNYRSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-8-1-2-10-3-5-11(6-4-10)12(15)7-9-14/h3-6H,1-2,7-9,14H2.
What are the key properties of 3-amino-1-[4-(3-fluoropropyl)phenyl]propan-1-one?
3-amino-1-[4-(3-fluoropropyl)phenyl]propan-1-one has a molecular weight of 209.26 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(3-fluoropropyl)phenyl]propan-1-one is sourced from PubChem (CID 117298773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).