4-[(1R)-1-amino-3-fluoropropyl]-2-bromophenol;hydrochloride

C9H12BrClFNO — CID 171204287

IUPAC4-[(1R)-1-amino-3-fluoropropyl]-2-bromophenol;hydrochloride
SMILESCl.N[C@H](CCF)c1ccc(O)c(Br)c1
InChIInChI=1S/C9H11BrFNO.ClH/c10-7-5-6(1-2-9(7)13)8(12)3-4-11;/h1-2,5,8,13H,3-4,12H2;1H/t8-;/m1./s1
InChIKeyPTWZZAUJJXDGRA-DDWIOCJRSA-N
MW284.56 g/mol
LogP2.94
Rot. Bonds3

About 4-[(1R)-1-amino-3-fluoropropyl]-2-bromophenol;hydrochloride

4-[(1R)-1-amino-3-fluoropropyl]-2-bromophenol;hydrochloride (PubChem CID 171204287) has the molecular formula C9H12BrClFNO and a molecular weight of 284.56 g/mol. Its IUPAC name is 4-[(1R)-1-amino-3-fluoropropyl]-2-bromophenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-amino-3-fluoropropyl]-2-bromophenol;hydrochloride
PubChem CID171204287
Molecular FormulaC9H12BrClFNO
Molecular Weight284.56 g/mol
Exact Mass282.98
IUPAC Name4-[(1R)-1-amino-3-fluoropropyl]-2-bromophenol;hydrochloride
SMILESCl.N[C@H](CCF)c1ccc(O)c(Br)c1
InChIInChI=1S/C9H11BrFNO.ClH/c10-7-5-6(1-2-9(7)13)8(12)3-4-11;/h1-2,5,8,13H,3-4,12H2;1H/t8-;/m1./s1
InChIKeyPTWZZAUJJXDGRA-DDWIOCJRSA-N
XLogP2.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.56
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R)-1-aminobutyl]-2-bromophenol;hydrochloride
CID 171204277
4-[(1R)-1-aminopent-4-enyl]-2-bromophenol
CID 171204295
4-(1-amino-3-methylbutyl)-2-bromophenol
CID 130825484
ethyl (3S)-3-amino-3-(3-bromo-4-hydroxyphenyl)-2-fluoropropanoate;hydrochloride
CID 171247823
(1S)-1-(3-bromo-4-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171220445
4-[(1S)-1,3-diaminopropyl]benzene-1,2-diol
CID 130817355
4-[(1R)-1-aminoethyl]-2-bromophenol
CID 78938003
4-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-bromophenol
CID 66510341
3-amino-3-(3-bromo-4-fluorophenyl)propan-1-ol;hydrochloride
CID 170874533
3-[(1S)-1-amino-3-fluoropropyl]-4-bromophenol;hydrochloride
CID 171223095
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-bromophenol;hydrochloride
CID 171262231
(1R)-1-(3-bromo-4-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171205900

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-3-fluoropropyl]-2-bromophenol;hydrochloride?
The IUPAC name of 4-[(1R)-1-amino-3-fluoropropyl]-2-bromophenol;hydrochloride (CID 171204287) is 4-[(1R)-1-amino-3-fluoropropyl]-2-bromophenol;hydrochloride.
What is the SMILES notation for 4-[(1R)-1-amino-3-fluoropropyl]-2-bromophenol;hydrochloride?
The canonical SMILES for 4-[(1R)-1-amino-3-fluoropropyl]-2-bromophenol;hydrochloride is Cl.N[C@H](CCF)c1ccc(O)c(Br)c1.
What is the InChIKey of 4-[(1R)-1-amino-3-fluoropropyl]-2-bromophenol;hydrochloride?
The InChIKey is PTWZZAUJJXDGRA-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H11BrFNO.ClH/c10-7-5-6(1-2-9(7)13)8(12)3-4-11;/h1-2,5,8,13H,3-4,12H2;1H/t8-;/m1./s1.
What are the key properties of 4-[(1R)-1-amino-3-fluoropropyl]-2-bromophenol;hydrochloride?
4-[(1R)-1-amino-3-fluoropropyl]-2-bromophenol;hydrochloride has a molecular weight of 284.56 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-3-fluoropropyl]-2-bromophenol;hydrochloride is sourced from PubChem (CID 171204287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).