2-[(1R)-1-amino-3-fluoropropyl]-4,6-dichlorophenol;hydrochloride

C9H11Cl3FNO — CID 171197715

IUPAC2-[(1R)-1-amino-3-fluoropropyl]-4,6-dichlorophenol;hydrochloride
SMILESCl.N[C@H](CCF)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C9H10Cl2FNO.ClH/c10-5-3-6(8(13)1-2-12)9(14)7(11)4-5;/h3-4,8,14H,1-2,13H2;1H/t8-;/m1./s1
InChIKeyVCMQIHZNMLWMJT-DDWIOCJRSA-N
MW274.55 g/mol
LogP3.48
Rot. Bonds3

About 2-[(1R)-1-amino-3-fluoropropyl]-4,6-dichlorophenol;hydrochloride

2-[(1R)-1-amino-3-fluoropropyl]-4,6-dichlorophenol;hydrochloride (PubChem CID 171197715) has the molecular formula C9H11Cl3FNO and a molecular weight of 274.55 g/mol. Its IUPAC name is 2-[(1R)-1-amino-3-fluoropropyl]-4,6-dichlorophenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-amino-3-fluoropropyl]-4,6-dichlorophenol;hydrochloride
PubChem CID171197715
Molecular FormulaC9H11Cl3FNO
Molecular Weight274.55 g/mol
Exact Mass272.99
IUPAC Name2-[(1R)-1-amino-3-fluoropropyl]-4,6-dichlorophenol;hydrochloride
SMILESCl.N[C@H](CCF)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C9H10Cl2FNO.ClH/c10-5-3-6(8(13)1-2-12)9(14)7(11)4-5;/h3-4,8,14H,1-2,13H2;1H/t8-;/m1./s1
InChIKeyVCMQIHZNMLWMJT-DDWIOCJRSA-N
XLogP3.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.55
LogP ≤ 53.48
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-aminopentyl]-4,6-dichlorophenol;hydrochloride
CID 171197707
2-[(1R)-1-aminobutyl]-4,6-dichlorophenol
CID 130677295
2-[(1R)-1-amino-4-hydroxybutyl]-4,6-dichlorophenol
CID 171197734
2-[(1R)-1-aminopentyl]-4,6-dichlorophenol
CID 171197706
2-[(1S)-1-amino-3-fluoropropyl]-6-chlorophenol
CID 131335401
methyl (3R)-3-amino-3-(3,5-dichloro-2-hydroxyphenyl)propanoate;hydrochloride
CID 171245409
(1R)-1-(2,5-dichlorophenyl)-3-fluoropropan-1-amine
CID 131460461
(1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine
CID 131303992
2-[(1S)-1-aminoethyl]-4,6-dichlorophenol;hydrochloride
CID 171217209
2-[(1R)-1-amino-2-fluoroethyl]-6-chloro-4-fluorophenol;hydrochloride
CID 171255975
methyl (3R)-3-amino-3-(3,5-dichloro-2-hydroxyphenyl)propanoate
CID 171245408

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-3-fluoropropyl]-4,6-dichlorophenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-amino-3-fluoropropyl]-4,6-dichlorophenol;hydrochloride (CID 171197715) is 2-[(1R)-1-amino-3-fluoropropyl]-4,6-dichlorophenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-amino-3-fluoropropyl]-4,6-dichlorophenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-amino-3-fluoropropyl]-4,6-dichlorophenol;hydrochloride is Cl.N[C@H](CCF)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2-[(1R)-1-amino-3-fluoropropyl]-4,6-dichlorophenol;hydrochloride?
The InChIKey is VCMQIHZNMLWMJT-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H10Cl2FNO.ClH/c10-5-3-6(8(13)1-2-12)9(14)7(11)4-5;/h3-4,8,14H,1-2,13H2;1H/t8-;/m1./s1.
What are the key properties of 2-[(1R)-1-amino-3-fluoropropyl]-4,6-dichlorophenol;hydrochloride?
2-[(1R)-1-amino-3-fluoropropyl]-4,6-dichlorophenol;hydrochloride has a molecular weight of 274.55 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-3-fluoropropyl]-4,6-dichlorophenol;hydrochloride is sourced from PubChem (CID 171197715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).