2-amino-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride

C10H12ClF4NO2 — CID 170893673

IUPAC2-amino-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C10H11F4NO2.ClH/c11-8-4-6(3-7(15)5-16)1-2-9(8)17-10(12,13)14;/h1-2,4,7,16H,3,5,15H2;1H
InChIKeyWVCKUNOFTNNKAG-UHFFFAOYSA-N
MW289.66 g/mol
LogP2.01
Rot. Bonds4

About 2-amino-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride

2-amino-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride (PubChem CID 170893673) has the molecular formula C10H12ClF4NO2 and a molecular weight of 289.66 g/mol. Its IUPAC name is 2-amino-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
PubChem CID170893673
Molecular FormulaC10H12ClF4NO2
Molecular Weight289.66 g/mol
Exact Mass289.05
IUPAC Name2-amino-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C10H11F4NO2.ClH/c11-8-4-6(3-7(15)5-16)1-2-9(8)17-10(12,13)14;/h1-2,4,7,16H,3,5,15H2;1H
InChIKeyWVCKUNOFTNNKAG-UHFFFAOYSA-N
XLogP2.01
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.66
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[3-chloro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
CID 170892599
1-[3-fluoro-4-(trifluoromethoxy)phenyl]butan-2-amine
CID 170889505
3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-1-ol
CID 138985656
2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol
CID 64573058
(1R,2S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-phenylpropan-2-ol
CID 171263568
1-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-2-amine
CID 170891288
2-amino-3-[3-chloro-5-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
CID 170893687
2-amino-3-[4-methoxy-2-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
CID 170893691
(1S)-2,2-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171249160
1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
(2S)-2-amino-3-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
CID 175817346
(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]butane-1,4-diamine;hydrochloride
CID 171227886

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride (CID 170893673) is 2-amino-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride is Cl.NC(CO)Cc1ccc(OC(F)(F)F)c(F)c1.
What is the InChIKey of 2-amino-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride?
The InChIKey is WVCKUNOFTNNKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO2.ClH/c11-8-4-6(3-7(15)5-16)1-2-9(8)17-10(12,13)14;/h1-2,4,7,16H,3,5,15H2;1H.
What are the key properties of 2-amino-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride?
2-amino-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride has a molecular weight of 289.66 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride is sourced from PubChem (CID 170893673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).