4-[(1R)-1-aminobut-3-enyl]-3-fluorophenol

C10H12FNO — CID 55292217

IUPAC4-[(1R)-1-aminobut-3-enyl]-3-fluorophenol
SMILESC=CC[C@@H](N)c1ccc(O)cc1F
InChIInChI=1S/C10H12FNO/c1-2-3-10(12)8-5-4-7(13)6-9(8)11/h2,4-6,10,13H,1,3,12H2/t10-/m1/s1
InChIKeyYSLODZFRTAWVCJ-SNVBAGLBSA-N
MW181.21 g/mol
LogP2.11
Rot. Bonds3

About 4-[(1R)-1-aminobut-3-enyl]-3-fluorophenol

4-[(1R)-1-aminobut-3-enyl]-3-fluorophenol (PubChem CID 55292217) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 4-[(1R)-1-aminobut-3-enyl]-3-fluorophenol.

Molecular Properties

Compound Name4-[(1R)-1-aminobut-3-enyl]-3-fluorophenol
PubChem CID55292217
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name4-[(1R)-1-aminobut-3-enyl]-3-fluorophenol
SMILESC=CC[C@@H](N)c1ccc(O)cc1F
InChIInChI=1S/C10H12FNO/c1-2-3-10(12)8-5-4-7(13)6-9(8)11/h2,4-6,10,13H,1,3,12H2/t10-/m1/s1
InChIKeyYSLODZFRTAWVCJ-SNVBAGLBSA-N
XLogP2.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.11
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-(4-chloro-2-fluorophenyl)but-3-en-1-amine;hydrochloride
CID 171202914
(1S)-1-(2,4-difluorophenyl)but-3-en-1-amine
CID 95009988
(1S)-1-(2,4-difluorophenyl)but-3-en-1-amine;hydrochloride
CID 171218552
4-(1-amino-2-hydroxyethyl)-3-fluorophenol
CID 55282976
(1R)-1-(2-fluoro-4-iodophenyl)but-3-en-1-amine
CID 131151148
4-[(1S)-1-amino-3-hydroxypropyl]-3-fluorophenol
CID 55270720
(1S)-1-(2-fluoro-4-methoxyphenyl)but-3-en-1-amine
CID 55269234
(1R)-1-(2-fluoro-4-methoxyphenyl)but-3-en-1-amine;hydrochloride
CID 171200072
2-[(1R)-1-aminobut-3-enyl]-4-chloro-6-fluorophenol
CID 131143638
6-[(1R)-1-aminobut-3-enyl]-2-bromo-3-fluorophenol
CID 131211532
4-[(1R)-1-amino-2-cyclopropylethyl]-3-fluorophenol;hydrochloride
CID 171199182
6-[(1S)-1-aminobut-3-enyl]-2-bromo-3-fluorophenol
CID 130806138

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminobut-3-enyl]-3-fluorophenol?
The IUPAC name of 4-[(1R)-1-aminobut-3-enyl]-3-fluorophenol (CID 55292217) is 4-[(1R)-1-aminobut-3-enyl]-3-fluorophenol.
What is the SMILES notation for 4-[(1R)-1-aminobut-3-enyl]-3-fluorophenol?
The canonical SMILES for 4-[(1R)-1-aminobut-3-enyl]-3-fluorophenol is C=CC[C@@H](N)c1ccc(O)cc1F.
What is the InChIKey of 4-[(1R)-1-aminobut-3-enyl]-3-fluorophenol?
The InChIKey is YSLODZFRTAWVCJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12FNO/c1-2-3-10(12)8-5-4-7(13)6-9(8)11/h2,4-6,10,13H,1,3,12H2/t10-/m1/s1.
What are the key properties of 4-[(1R)-1-aminobut-3-enyl]-3-fluorophenol?
4-[(1R)-1-aminobut-3-enyl]-3-fluorophenol has a molecular weight of 181.21 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminobut-3-enyl]-3-fluorophenol is sourced from PubChem (CID 55292217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).