(2R)-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propan-2-ol

C10H11ClF3NO — CID 174577868

IUPAC(2R)-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propan-2-ol
SMILESC[C@@H](O)Cc1cc(Cl)c(N)c(C(F)(F)F)c1
InChIInChI=1S/C10H11ClF3NO/c1-5(16)2-6-3-7(10(12,13)14)9(15)8(11)4-6/h3-5,16H,2,15H2,1H3/t5-/m1/s1
InChIKeyUEXLMCXBYDMMOO-RXMQYKEDSA-N
MW253.65 g/mol
LogP2.86
Rot. Bonds2

About (2R)-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propan-2-ol

(2R)-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 174577868) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is (2R)-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID174577868
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC Name(2R)-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propan-2-ol
SMILESC[C@@H](O)Cc1cc(Cl)c(N)c(C(F)(F)F)c1
InChIInChI=1S/C10H11ClF3NO/c1-5(16)2-6-3-7(10(12,13)14)9(15)8(11)4-6/h3-5,16H,2,15H2,1H3/t5-/m1/s1
InChIKeyUEXLMCXBYDMMOO-RXMQYKEDSA-N
XLogP2.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of (2R)-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propan-2-ol (CID 174577868) is (2R)-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propan-2-ol is C[C@@H](O)Cc1cc(Cl)c(N)c(C(F)(F)F)c1.
What is the InChIKey of (2R)-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is UEXLMCXBYDMMOO-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H11ClF3NO/c1-5(16)2-6-3-7(10(12,13)14)9(15)8(11)4-6/h3-5,16H,2,15H2,1H3/t5-/m1/s1.
What are the key properties of (2R)-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propan-2-ol?
(2R)-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 253.65 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 174577868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).