1-aminopropan-2-ol;3-fluorobenzonitrile

C10H13FN2O — CID 174477470

IUPAC1-aminopropan-2-ol;3-fluorobenzonitrile
SMILESCC(O)CN.N#Cc1cccc(F)c1
InChIInChI=1S/C7H4FN.C3H9NO/c8-7-3-1-2-6(4-7)5-9;1-3(5)2-4/h1-4H;3,5H,2,4H2,1H3
InChIKeyFOXSPDWOBQRUNC-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.02
Rot. Bonds1

About 1-aminopropan-2-ol;3-fluorobenzonitrile

1-aminopropan-2-ol;3-fluorobenzonitrile (PubChem CID 174477470) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 1-aminopropan-2-ol;3-fluorobenzonitrile.

Molecular Properties

Compound Name1-aminopropan-2-ol;3-fluorobenzonitrile
PubChem CID174477470
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name1-aminopropan-2-ol;3-fluorobenzonitrile
SMILESCC(O)CN.N#Cc1cccc(F)c1
InChIInChI=1S/C7H4FN.C3H9NO/c8-7-3-1-2-6(4-7)5-9;1-3(5)2-4/h1-4H;3,5H,2,4H2,1H3
InChIKeyFOXSPDWOBQRUNC-UHFFFAOYSA-N
XLogP1.02
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2R)-4-(3-fluorophenyl)but-3-yn-2-ol
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CID 54593211
3-(1-aminopropan-2-yloxy)benzonitrile
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3-fluorobenzonitrile;2-(4-hydroxyphenoxy)propanoic acid
CID 157355506
3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzonitrile
CID 60918684
3-[(3-amino-2-hydroxypropyl)-methylamino]benzonitrile
CID 62970802
3-[(1S)-1-amino-2-hydroxypropyl]benzonitrile
CID 131098129
3-[2-(2-hydroxypropylamino)ethylamino]benzonitrile
CID 102819274

Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-ol;3-fluorobenzonitrile?
The IUPAC name of 1-aminopropan-2-ol;3-fluorobenzonitrile (CID 174477470) is 1-aminopropan-2-ol;3-fluorobenzonitrile.
What is the SMILES notation for 1-aminopropan-2-ol;3-fluorobenzonitrile?
The canonical SMILES for 1-aminopropan-2-ol;3-fluorobenzonitrile is CC(O)CN.N#Cc1cccc(F)c1.
What is the InChIKey of 1-aminopropan-2-ol;3-fluorobenzonitrile?
The InChIKey is FOXSPDWOBQRUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN.C3H9NO/c8-7-3-1-2-6(4-7)5-9;1-3(5)2-4/h1-4H;3,5H,2,4H2,1H3.
What are the key properties of 1-aminopropan-2-ol;3-fluorobenzonitrile?
1-aminopropan-2-ol;3-fluorobenzonitrile has a molecular weight of 196.22 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-ol;3-fluorobenzonitrile is sourced from PubChem (CID 174477470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).