2-amino-6-[(2S)-azetidin-2-yl]-4-fluorophenol

C9H11FN2O — CID 130872116

IUPAC2-amino-6-[(2S)-azetidin-2-yl]-4-fluorophenol
SMILESNc1cc(F)cc([C@@H]2CCN2)c1O
InChIInChI=1S/C9H11FN2O/c10-5-3-6(8-1-2-12-8)9(13)7(11)4-5/h3-4,8,12-13H,1-2,11H2/t8-/m0/s1
InChIKeyRWUJJSQEIUHNFB-QMMMGPOBSA-N
MW182.20 g/mol
LogP1.15
Rot. Bonds1

About 2-amino-6-[(2S)-azetidin-2-yl]-4-fluorophenol

2-amino-6-[(2S)-azetidin-2-yl]-4-fluorophenol (PubChem CID 130872116) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 2-amino-6-[(2S)-azetidin-2-yl]-4-fluorophenol.

Molecular Properties

Compound Name2-amino-6-[(2S)-azetidin-2-yl]-4-fluorophenol
PubChem CID130872116
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name2-amino-6-[(2S)-azetidin-2-yl]-4-fluorophenol
SMILESNc1cc(F)cc([C@@H]2CCN2)c1O
InChIInChI=1S/C9H11FN2O/c10-5-3-6(8-1-2-12-8)9(13)7(11)4-5/h3-4,8,12-13H,1-2,11H2/t8-/m0/s1
InChIKeyRWUJJSQEIUHNFB-QMMMGPOBSA-N
XLogP1.15
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(azetidin-2-yl)-6-bromo-4-fluorophenol
CID 131124098
2-[(2R)-azetidin-2-yl]-6-bromo-4-fluorophenol
CID 130983518
2-[(2S)-azetidin-2-yl]-4-fluorophenol
CID 55277686
(2S)-2-(2,5-difluorophenyl)azetidine
CID 55278103
3-[(2R)-azetidin-2-yl]-5-fluoro-4-hydroxybenzonitrile
CID 130881763
(2S)-2-(2-bromo-5-fluorophenyl)azetidine
CID 130681917
2-[(2S)-azetidin-2-yl]-6-fluorophenol
CID 55278704
4-amino-2-[(2R)-azetidin-2-yl]phenol
CID 131014546
2-(azetidin-2-yl)-4-fluorobenzoic acid
CID 55297261
2-[(2S)-azetidin-2-yl]-4,6-dichlorophenol;hydrochloride
CID 171196609
2-amino-6-[(S)-amino(cyclohexyl)methyl]-4-fluorophenol
CID 171253920
2-[(2R)-azetidin-2-yl]-4-bromo-6-(trifluoromethyl)phenol
CID 131498458

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(2S)-azetidin-2-yl]-4-fluorophenol?
The IUPAC name of 2-amino-6-[(2S)-azetidin-2-yl]-4-fluorophenol (CID 130872116) is 2-amino-6-[(2S)-azetidin-2-yl]-4-fluorophenol.
What is the SMILES notation for 2-amino-6-[(2S)-azetidin-2-yl]-4-fluorophenol?
The canonical SMILES for 2-amino-6-[(2S)-azetidin-2-yl]-4-fluorophenol is Nc1cc(F)cc([C@@H]2CCN2)c1O.
What is the InChIKey of 2-amino-6-[(2S)-azetidin-2-yl]-4-fluorophenol?
The InChIKey is RWUJJSQEIUHNFB-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11FN2O/c10-5-3-6(8-1-2-12-8)9(13)7(11)4-5/h3-4,8,12-13H,1-2,11H2/t8-/m0/s1.
What are the key properties of 2-amino-6-[(2S)-azetidin-2-yl]-4-fluorophenol?
2-amino-6-[(2S)-azetidin-2-yl]-4-fluorophenol has a molecular weight of 182.20 g/mol, XLogP of 1.15, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(2S)-azetidin-2-yl]-4-fluorophenol is sourced from PubChem (CID 130872116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).