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

C10H12Cl2F3NO2 — CID 170892599

IUPAC2-amino-3-[3-chloro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1ccc(OC(F)(F)F)c(Cl)c1
InChIInChI=1S/C10H11ClF3NO2.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
InChIKeyCFNXMPNAASRGHI-UHFFFAOYSA-N
MW306.11 g/mol
LogP2.52
Rot. Bonds4

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

2-amino-3-[3-chloro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride (PubChem CID 170892599) has the molecular formula C10H12Cl2F3NO2 and a molecular weight of 306.11 g/mol. Its IUPAC name is 2-amino-3-[3-chloro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-[3-chloro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
PubChem CID170892599
Molecular FormulaC10H12Cl2F3NO2
Molecular Weight306.11 g/mol
Exact Mass305.02
IUPAC Name2-amino-3-[3-chloro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1ccc(OC(F)(F)F)c(Cl)c1
InChIInChI=1S/C10H11ClF3NO2.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
InChIKeyCFNXMPNAASRGHI-UHFFFAOYSA-N
XLogP2.52
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.11
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
CID 170893673
2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol
CID 64573058
2-amino-3-[3-chloro-5-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
CID 170893687
2-amino-3-[2,6-dichloro-4-(trifluoromethoxy)phenyl]propan-1-ol
CID 170893686
(1R,2S)-1-amino-1-[3-chloro-4-(trifluoromethoxy)phenyl]butan-2-ol;hydrochloride
CID 171263517
2-[3-chloro-4-(trifluoromethoxy)phenyl]acetaldehyde
CID 146002660
(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171242411
1-[3-fluoro-4-(trifluoromethoxy)phenyl]butan-2-amine
CID 170889505
ethyl 2-[3-chloro-4-(trifluoromethoxy)phenyl]acetate
CID 134632922
amino 3-[3-chloro-4-(trifluoromethoxy)phenyl]propanoate
CID 174912242
methyl (2S)-2-amino-2-[3-chloro-4-(trifluoromethoxy)phenyl]acetate;hydrochloride
CID 171208232
2-amino-3-[4-methoxy-2-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
CID 170893691

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-chloro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-[3-chloro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride (CID 170892599) is 2-amino-3-[3-chloro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-[3-chloro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-[3-chloro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride is Cl.NC(CO)Cc1ccc(OC(F)(F)F)c(Cl)c1.
What is the InChIKey of 2-amino-3-[3-chloro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride?
The InChIKey is CFNXMPNAASRGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO2.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-chloro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride?
2-amino-3-[3-chloro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride has a molecular weight of 306.11 g/mol, XLogP of 2.52, 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-chloro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride is sourced from PubChem (CID 170892599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).