2-[(1R)-1-aminoprop-2-enyl]-6-fluorobenzonitrile

C10H9FN2 — CID 55274364

IUPAC2-[(1R)-1-aminoprop-2-enyl]-6-fluorobenzonitrile
SMILESC=C[C@@H](N)c1cccc(F)c1C#N
InChIInChI=1S/C10H9FN2/c1-2-10(13)7-4-3-5-9(11)8(7)6-12/h2-5,10H,1,13H2/t10-/m1/s1
InChIKeyMFRAMSHUBIOSAV-SNVBAGLBSA-N
MW176.19 g/mol
LogP1.88
Rot. Bonds2

About 2-[(1R)-1-aminoprop-2-enyl]-6-fluorobenzonitrile

2-[(1R)-1-aminoprop-2-enyl]-6-fluorobenzonitrile (PubChem CID 55274364) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 2-[(1R)-1-aminoprop-2-enyl]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(1R)-1-aminoprop-2-enyl]-6-fluorobenzonitrile
PubChem CID55274364
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name2-[(1R)-1-aminoprop-2-enyl]-6-fluorobenzonitrile
SMILESC=C[C@@H](N)c1cccc(F)c1C#N
InChIInChI=1S/C10H9FN2/c1-2-10(13)7-4-3-5-9(11)8(7)6-12/h2-5,10H,1,13H2/t10-/m1/s1
InChIKeyMFRAMSHUBIOSAV-SNVBAGLBSA-N
XLogP1.88
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(2,3-difluorophenyl)prop-2-en-1-amine;hydrochloride
CID 171204130
2-fluoro-6-propan-2-ylbenzonitrile
CID 59589078
(1R)-1-(2-chloro-3-fluorophenyl)prop-2-en-1-amine;hydrochloride
CID 171203034
2-[(1S)-1-aminoprop-2-enyl]benzonitrile
CID 131090476
2-(1-amino-2-oxopropyl)-6-fluorobenzonitrile
CID 55296124
1-(3-bromo-2-fluorophenyl)prop-2-en-1-amine
CID 103692976
3-[(1R)-1-aminoprop-2-enyl]-4-fluorobenzonitrile
CID 55273925
2-(1-cyanopropyl)-6-fluorobenzonitrile
CID 130134605
2-[(S)-cyano-(4-fluorophenyl)methyl]-6-fluorobenzonitrile
CID 6933606
methyl 2-cyano-2-(2-cyano-3-fluorophenyl)acetate
CID 146625013
2-[(S)-cyano(thiophen-2-yl)methyl]-6-fluorobenzonitrile
CID 6933760
3-[(1S)-1-aminoprop-2-enyl]benzene-1,2-diol
CID 130642432

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoprop-2-enyl]-6-fluorobenzonitrile?
The IUPAC name of 2-[(1R)-1-aminoprop-2-enyl]-6-fluorobenzonitrile (CID 55274364) is 2-[(1R)-1-aminoprop-2-enyl]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[(1R)-1-aminoprop-2-enyl]-6-fluorobenzonitrile?
The canonical SMILES for 2-[(1R)-1-aminoprop-2-enyl]-6-fluorobenzonitrile is C=C[C@@H](N)c1cccc(F)c1C#N.
What is the InChIKey of 2-[(1R)-1-aminoprop-2-enyl]-6-fluorobenzonitrile?
The InChIKey is MFRAMSHUBIOSAV-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H9FN2/c1-2-10(13)7-4-3-5-9(11)8(7)6-12/h2-5,10H,1,13H2/t10-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoprop-2-enyl]-6-fluorobenzonitrile?
2-[(1R)-1-aminoprop-2-enyl]-6-fluorobenzonitrile has a molecular weight of 176.19 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoprop-2-enyl]-6-fluorobenzonitrile is sourced from PubChem (CID 55274364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).