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

C11H15ClFNO — CID 171218283

IUPAC4-[(1S)-1-aminopent-4-enyl]-2-fluorophenol;hydrochloride
SMILESC=CCC[C@H](N)c1ccc(O)c(F)c1.Cl
InChIInChI=1S/C11H14FNO.ClH/c1-2-3-4-10(13)8-5-6-11(14)9(12)7-8;/h2,5-7,10,14H,1,3-4,13H2;1H/t10-;/m0./s1
InChIKeyOTUQMKWZZFNWMV-PPHPATTJSA-N
MW231.70 g/mol
LogP2.92
Rot. Bonds4

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

4-[(1S)-1-aminopent-4-enyl]-2-fluorophenol;hydrochloride (PubChem CID 171218283) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 4-[(1S)-1-aminopent-4-enyl]-2-fluorophenol;hydrochloride.

Molecular Properties

Compound Name4-[(1S)-1-aminopent-4-enyl]-2-fluorophenol;hydrochloride
PubChem CID171218283
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name4-[(1S)-1-aminopent-4-enyl]-2-fluorophenol;hydrochloride
SMILESC=CCC[C@H](N)c1ccc(O)c(F)c1.Cl
InChIInChI=1S/C11H14FNO.ClH/c1-2-3-4-10(13)8-5-6-11(14)9(12)7-8;/h2,5-7,10,14H,1,3-4,13H2;1H/t10-;/m0./s1
InChIKeyOTUQMKWZZFNWMV-PPHPATTJSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(3-fluoro-4-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171204371
4-[(1R)-1-aminopent-4-enyl]-2-bromophenol
CID 171204295
4-[(1R)-1-aminobutyl]-2-fluorophenol;hydrochloride
CID 171198748
(1R)-1-(3,4,5-trifluorophenyl)pent-4-en-1-amine;hydrochloride
CID 171205839
1-(3-bromo-4-fluorophenyl)pent-4-en-1-amine
CID 82808779
(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]pent-4-en-1-amine;hydrochloride
CID 171227921
4-[(1S)-1-aminopent-4-enyl]phenol
CID 171217735
4-(1-amino-2-hydroxyethyl)-2-fluorophenol
CID 55282986
4-[(1R)-1-amino-3-methylbut-3-enyl]-2-fluorophenol;hydrochloride
CID 171198768
2-[(1R)-1-aminopent-4-enyl]-4-fluorophenol
CID 171198968
(1R)-1-(3,4-dibromophenyl)pent-4-en-1-amine;hydrochloride
CID 171215459
4-[(1R)-1-amino-3,3,3-trifluoropropyl]-2-fluorophenol;hydrochloride
CID 171198755

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminopent-4-enyl]-2-fluorophenol;hydrochloride?
The IUPAC name of 4-[(1S)-1-aminopent-4-enyl]-2-fluorophenol;hydrochloride (CID 171218283) is 4-[(1S)-1-aminopent-4-enyl]-2-fluorophenol;hydrochloride.
What is the SMILES notation for 4-[(1S)-1-aminopent-4-enyl]-2-fluorophenol;hydrochloride?
The canonical SMILES for 4-[(1S)-1-aminopent-4-enyl]-2-fluorophenol;hydrochloride is C=CCC[C@H](N)c1ccc(O)c(F)c1.Cl.
What is the InChIKey of 4-[(1S)-1-aminopent-4-enyl]-2-fluorophenol;hydrochloride?
The InChIKey is OTUQMKWZZFNWMV-PPHPATTJSA-N. The full InChI is InChI=1S/C11H14FNO.ClH/c1-2-3-4-10(13)8-5-6-11(14)9(12)7-8;/h2,5-7,10,14H,1,3-4,13H2;1H/t10-;/m0./s1.
What are the key properties of 4-[(1S)-1-aminopent-4-enyl]-2-fluorophenol;hydrochloride?
4-[(1S)-1-aminopent-4-enyl]-2-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 4-[(1S)-1-aminopent-4-enyl]-2-fluorophenol;hydrochloride is sourced from PubChem (CID 171218283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).