2-[(1R)-1-aminopent-4-enyl]-6-fluorophenol;hydrochloride

C11H15ClFNO — CID 171198936

IUPAC2-[(1R)-1-aminopent-4-enyl]-6-fluorophenol;hydrochloride
SMILESC=CCC[C@@H](N)c1cccc(F)c1O.Cl
InChIInChI=1S/C11H14FNO.ClH/c1-2-3-7-10(13)8-5-4-6-9(12)11(8)14;/h2,4-6,10,14H,1,3,7,13H2;1H/t10-;/m1./s1
InChIKeyWQZAOMDKSSNVHY-HNCPQSOCSA-N
MW231.70 g/mol
LogP2.92
Rot. Bonds4

About 2-[(1R)-1-aminopent-4-enyl]-6-fluorophenol;hydrochloride

2-[(1R)-1-aminopent-4-enyl]-6-fluorophenol;hydrochloride (PubChem CID 171198936) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 2-[(1R)-1-aminopent-4-enyl]-6-fluorophenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-aminopent-4-enyl]-6-fluorophenol;hydrochloride
PubChem CID171198936
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name2-[(1R)-1-aminopent-4-enyl]-6-fluorophenol;hydrochloride
SMILESC=CCC[C@@H](N)c1cccc(F)c1O.Cl
InChIInChI=1S/C11H14FNO.ClH/c1-2-3-7-10(13)8-5-4-6-9(12)11(8)14;/h2,4-6,10,14H,1,3,7,13H2;1H/t10-;/m1./s1
InChIKeyWQZAOMDKSSNVHY-HNCPQSOCSA-N
XLogP2.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(1R)-1-aminobut-3-enyl]-6-fluorophenol;hydrochloride
CID 171198918
2-[(1S)-1,3-diaminopropyl]-6-fluorophenol;hydrochloride
CID 171218427
1-(2-bromo-3-fluorophenyl)pent-4-en-1-amine
CID 104987731
(1S)-1-[3-fluoro-2-(trifluoromethyl)phenyl]pent-4-en-1-amine
CID 171231044
2-[(1S)-1-aminopentyl]-6-fluorophenol;hydrochloride
CID 171218438
(1R)-1-(3-chloro-2-fluorophenyl)pent-4-en-1-amine;hydrochloride
CID 171209326
2-[(1S)-1-aminopentyl]-6-fluorophenol
CID 171218437
(1R)-1-naphthalen-1-ylpent-4-en-1-amine;hydrochloride
CID 171212052
(1R)-1-(2-fluoro-3-methoxyphenyl)pent-4-en-1-amine;hydrochloride
CID 171205721
2-(1-amino-2-cyclopropylethyl)-6-fluorophenol
CID 55268848
1-(2-bromo-3-fluorophenyl)hex-5-en-1-amine
CID 104987122
3-[(1S)-1-aminopent-4-enyl]-5-fluoro-4-hydroxybenzonitrile
CID 171254437

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminopent-4-enyl]-6-fluorophenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-aminopent-4-enyl]-6-fluorophenol;hydrochloride (CID 171198936) is 2-[(1R)-1-aminopent-4-enyl]-6-fluorophenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-aminopent-4-enyl]-6-fluorophenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-aminopent-4-enyl]-6-fluorophenol;hydrochloride is C=CCC[C@@H](N)c1cccc(F)c1O.Cl.
What is the InChIKey of 2-[(1R)-1-aminopent-4-enyl]-6-fluorophenol;hydrochloride?
The InChIKey is WQZAOMDKSSNVHY-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H14FNO.ClH/c1-2-3-7-10(13)8-5-4-6-9(12)11(8)14;/h2,4-6,10,14H,1,3,7,13H2;1H/t10-;/m1./s1.
What are the key properties of 2-[(1R)-1-aminopent-4-enyl]-6-fluorophenol;hydrochloride?
2-[(1R)-1-aminopent-4-enyl]-6-fluorophenol;hydrochloride has a molecular weight of 231.70 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminopent-4-enyl]-6-fluorophenol;hydrochloride is sourced from PubChem (CID 171198936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).