4-[(1R)-1-amino-2-fluoroethyl]-2,6-dichlorophenol;hydrochloride

C8H9Cl3FNO — CID 171224787

IUPAC4-[(1R)-1-amino-2-fluoroethyl]-2,6-dichlorophenol;hydrochloride
SMILESCl.N[C@@H](CF)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C8H8Cl2FNO.ClH/c9-5-1-4(7(12)3-11)2-6(10)8(5)13;/h1-2,7,13H,3,12H2;1H/t7-;/m0./s1
InChIKeyAGMQRTVRKPDNJR-FJXQXJEOSA-N
MW260.52 g/mol
LogP3.09
Rot. Bonds2

About 4-[(1R)-1-amino-2-fluoroethyl]-2,6-dichlorophenol;hydrochloride

4-[(1R)-1-amino-2-fluoroethyl]-2,6-dichlorophenol;hydrochloride (PubChem CID 171224787) has the molecular formula C8H9Cl3FNO and a molecular weight of 260.52 g/mol. Its IUPAC name is 4-[(1R)-1-amino-2-fluoroethyl]-2,6-dichlorophenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-amino-2-fluoroethyl]-2,6-dichlorophenol;hydrochloride
PubChem CID171224787
Molecular FormulaC8H9Cl3FNO
Molecular Weight260.52 g/mol
Exact Mass258.97
IUPAC Name4-[(1R)-1-amino-2-fluoroethyl]-2,6-dichlorophenol;hydrochloride
SMILESCl.N[C@@H](CF)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C8H8Cl2FNO.ClH/c9-5-1-4(7(12)3-11)2-6(10)8(5)13;/h1-2,7,13H,3,12H2;1H/t7-;/m0./s1
InChIKeyAGMQRTVRKPDNJR-FJXQXJEOSA-N
XLogP3.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.52
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-4-[(1R)-1,2-diaminoethyl]phenol;hydrochloride
CID 171224788
4-[(1S)-1-amino-2-fluoroethyl]-2,6-diiodophenol;hydrochloride
CID 171215816
4-[(1R)-1-aminopent-4-enyl]-2,6-dichlorophenol;hydrochloride
CID 171205248
4-[(1R)-1-aminoprop-2-enyl]-2,6-dichlorophenol;hydrochloride
CID 171205225
2-[(1R)-1-amino-2-fluoroethyl]-6-chloro-4-fluorophenol;hydrochloride
CID 171255975
(1S)-1-(3,5-dichlorophenyl)-2-fluoroethanamine
CID 124707721
2-(1-amino-2-fluoroethyl)-4,6-dichlorophenol
CID 130059324
4-[(1S)-1-aminopent-4-enyl]-2,6-dichlorophenol
CID 171224819
2-[(1R)-1-amino-2-fluoroethyl]-4-bromo-6-chlorophenol;hydrochloride
CID 171253267
(1R)-1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine;hydrochloride
CID 171224143
2-chloro-4-[(1S)-1,2-diaminoethyl]-6-methoxyphenol;hydrochloride
CID 171215335
2,6-dichloro-4-[1,4,4-tris(3,5-dichloro-4-hydroxyphenyl)butyl]phenol
CID 22725877

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-2-fluoroethyl]-2,6-dichlorophenol;hydrochloride?
The IUPAC name of 4-[(1R)-1-amino-2-fluoroethyl]-2,6-dichlorophenol;hydrochloride (CID 171224787) is 4-[(1R)-1-amino-2-fluoroethyl]-2,6-dichlorophenol;hydrochloride.
What is the SMILES notation for 4-[(1R)-1-amino-2-fluoroethyl]-2,6-dichlorophenol;hydrochloride?
The canonical SMILES for 4-[(1R)-1-amino-2-fluoroethyl]-2,6-dichlorophenol;hydrochloride is Cl.N[C@@H](CF)c1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 4-[(1R)-1-amino-2-fluoroethyl]-2,6-dichlorophenol;hydrochloride?
The InChIKey is AGMQRTVRKPDNJR-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H8Cl2FNO.ClH/c9-5-1-4(7(12)3-11)2-6(10)8(5)13;/h1-2,7,13H,3,12H2;1H/t7-;/m0./s1.
What are the key properties of 4-[(1R)-1-amino-2-fluoroethyl]-2,6-dichlorophenol;hydrochloride?
4-[(1R)-1-amino-2-fluoroethyl]-2,6-dichlorophenol;hydrochloride has a molecular weight of 260.52 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-2-fluoroethyl]-2,6-dichlorophenol;hydrochloride is sourced from PubChem (CID 171224787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).