2-[(1R)-1-amino-2-fluoroethyl]-6-chloro-4-fluorophenol;hydrochloride

C8H9Cl2F2NO — CID 171255975

IUPAC2-[(1R)-1-amino-2-fluoroethyl]-6-chloro-4-fluorophenol;hydrochloride
SMILESCl.N[C@@H](CF)c1cc(F)cc(Cl)c1O
InChIInChI=1S/C8H8ClF2NO.ClH/c9-6-2-4(11)1-5(8(6)13)7(12)3-10;/h1-2,7,13H,3,12H2;1H/t7-;/m0./s1
InChIKeyWJRZQKSULOWXKR-FJXQXJEOSA-N
MW244.07 g/mol
LogP2.58
Rot. Bonds2

About 2-[(1R)-1-amino-2-fluoroethyl]-6-chloro-4-fluorophenol;hydrochloride

2-[(1R)-1-amino-2-fluoroethyl]-6-chloro-4-fluorophenol;hydrochloride (PubChem CID 171255975) has the molecular formula C8H9Cl2F2NO and a molecular weight of 244.07 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2-fluoroethyl]-6-chloro-4-fluorophenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-amino-2-fluoroethyl]-6-chloro-4-fluorophenol;hydrochloride
PubChem CID171255975
Molecular FormulaC8H9Cl2F2NO
Molecular Weight244.07 g/mol
Exact Mass243.00
IUPAC Name2-[(1R)-1-amino-2-fluoroethyl]-6-chloro-4-fluorophenol;hydrochloride
SMILESCl.N[C@@H](CF)c1cc(F)cc(Cl)c1O
InChIInChI=1S/C8H8ClF2NO.ClH/c9-6-2-4(11)1-5(8(6)13)7(12)3-10;/h1-2,7,13H,3,12H2;1H/t7-;/m0./s1
InChIKeyWJRZQKSULOWXKR-FJXQXJEOSA-N
XLogP2.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.07
LogP ≤ 52.58
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-(1-amino-2-fluoroethyl)-4,6-dichlorophenol
CID 130059324
2-[(1R)-1-amino-2-fluoroethyl]-4-bromo-6-chlorophenol;hydrochloride
CID 171253267
4-[(1R)-1-amino-2-fluoroethyl]-2,6-dichlorophenol;hydrochloride
CID 171224787
2-[(1R)-1-amino-3-fluoropropyl]-4,6-dichlorophenol;hydrochloride
CID 171197715
2-[(1R)-1-amino-2-fluoroethyl]-4-fluoro-6-methoxyphenol
CID 131154819
2-[(1R)-1-amino-2-fluoroethyl]-6-bromo-4-chlorophenol;hydrochloride
CID 171253706
1-(3-chloro-5-fluoro-2-hydroxyphenyl)propane-1,2,3-triol
CID 170817813
methyl (2S)-2-amino-2-(3-chloro-5-fluoro-2-hydroxyphenyl)acetate
CID 131512220
1-(3-chloro-5-fluoro-2-hydroxyphenyl)butane-1,2,4-triol
CID 171872255
2-bromo-6-[(1S)-1,2-diaminoethyl]-4-fluorophenol;hydrochloride
CID 171257019
2-(3-chloro-5-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117314960
2-amino-6-[(1R)-1-amino-2-hydroxyethyl]-4-fluorophenol;hydrochloride
CID 171253901

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2-fluoroethyl]-6-chloro-4-fluorophenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-amino-2-fluoroethyl]-6-chloro-4-fluorophenol;hydrochloride (CID 171255975) is 2-[(1R)-1-amino-2-fluoroethyl]-6-chloro-4-fluorophenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-amino-2-fluoroethyl]-6-chloro-4-fluorophenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-amino-2-fluoroethyl]-6-chloro-4-fluorophenol;hydrochloride is Cl.N[C@@H](CF)c1cc(F)cc(Cl)c1O.
What is the InChIKey of 2-[(1R)-1-amino-2-fluoroethyl]-6-chloro-4-fluorophenol;hydrochloride?
The InChIKey is WJRZQKSULOWXKR-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H8ClF2NO.ClH/c9-6-2-4(11)1-5(8(6)13)7(12)3-10;/h1-2,7,13H,3,12H2;1H/t7-;/m0./s1.
What are the key properties of 2-[(1R)-1-amino-2-fluoroethyl]-6-chloro-4-fluorophenol;hydrochloride?
2-[(1R)-1-amino-2-fluoroethyl]-6-chloro-4-fluorophenol;hydrochloride has a molecular weight of 244.07 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-2-fluoroethyl]-6-chloro-4-fluorophenol;hydrochloride is sourced from PubChem (CID 171255975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).