2-[(1S)-1-amino-3-fluoropropyl]-6-chlorophenol

C9H11ClFNO — CID 131335401

IUPAC2-[(1S)-1-amino-3-fluoropropyl]-6-chlorophenol
SMILESN[C@@H](CCF)c1cccc(Cl)c1O
InChIInChI=1S/C9H11ClFNO/c10-7-3-1-2-6(9(7)13)8(12)4-5-11/h1-3,8,13H,4-5,12H2/t8-/m0/s1
InChIKeyGKUDZZJZANCPFX-QMMMGPOBSA-N
MW203.64 g/mol
LogP2.40
Rot. Bonds3

About 2-[(1S)-1-amino-3-fluoropropyl]-6-chlorophenol

2-[(1S)-1-amino-3-fluoropropyl]-6-chlorophenol (PubChem CID 131335401) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 2-[(1S)-1-amino-3-fluoropropyl]-6-chlorophenol.

Molecular Properties

Compound Name2-[(1S)-1-amino-3-fluoropropyl]-6-chlorophenol
PubChem CID131335401
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name2-[(1S)-1-amino-3-fluoropropyl]-6-chlorophenol
SMILESN[C@@H](CCF)c1cccc(Cl)c1O
InChIInChI=1S/C9H11ClFNO/c10-7-3-1-2-6(9(7)13)8(12)4-5-11/h1-3,8,13H,4-5,12H2/t8-/m0/s1
InChIKeyGKUDZZJZANCPFX-QMMMGPOBSA-N
XLogP2.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-amino-4,4,4-trifluorobutyl]-6-chlorophenol
CID 171204748
(1S)-1-(3-chloro-2-fluorophenyl)-3-fluoropropan-1-amine
CID 131258362
2-[(1S)-1-aminohexyl]-6-chlorophenol
CID 171224317
2-(1-amino-2-methoxyethyl)-6-chlorophenol
CID 130061439
2-[(1R)-1-amino-3-fluoropropyl]-4,6-dichlorophenol;hydrochloride
CID 171197715
2-[(1R)-1-amino-2-cyclopropylethyl]-6-chlorophenol;hydrochloride
CID 171204746
2-[(1S)-1,3-diaminopropyl]-6-fluorophenol;hydrochloride
CID 171218427
(1S)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine
CID 131585694
3-[(1R)-1-amino-2-fluoroethyl]benzene-1,2-diol
CID 131172415
(1R)-1-(2,3-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171204529
(1R)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171200162
(1S)-1-(2-chloro-6-methylphenyl)-3-fluoropropan-1-amine
CID 131449010

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-3-fluoropropyl]-6-chlorophenol?
The IUPAC name of 2-[(1S)-1-amino-3-fluoropropyl]-6-chlorophenol (CID 131335401) is 2-[(1S)-1-amino-3-fluoropropyl]-6-chlorophenol.
What is the SMILES notation for 2-[(1S)-1-amino-3-fluoropropyl]-6-chlorophenol?
The canonical SMILES for 2-[(1S)-1-amino-3-fluoropropyl]-6-chlorophenol is N[C@@H](CCF)c1cccc(Cl)c1O.
What is the InChIKey of 2-[(1S)-1-amino-3-fluoropropyl]-6-chlorophenol?
The InChIKey is GKUDZZJZANCPFX-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11ClFNO/c10-7-3-1-2-6(9(7)13)8(12)4-5-11/h1-3,8,13H,4-5,12H2/t8-/m0/s1.
What are the key properties of 2-[(1S)-1-amino-3-fluoropropyl]-6-chlorophenol?
2-[(1S)-1-amino-3-fluoropropyl]-6-chlorophenol has a molecular weight of 203.64 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-amino-3-fluoropropyl]-6-chlorophenol is sourced from PubChem (CID 131335401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).