(2R)-2-amino-2-(2,4,6-trichlorophenyl)propan-1-ol

C9H10Cl3NO — CID 131218511

IUPAC(2R)-2-amino-2-(2,4,6-trichlorophenyl)propan-1-ol
SMILESC[C@](N)(CO)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl3NO/c1-9(13,4-14)8-6(11)2-5(10)3-7(8)12/h2-3,14H,4,13H2,1H3/t9-/m0/s1
InChIKeyZOSULMDWXIBZOS-VIFPVBQESA-N
MW254.54 g/mol
LogP2.81
Rot. Bonds2

About (2R)-2-amino-2-(2,4,6-trichlorophenyl)propan-1-ol

(2R)-2-amino-2-(2,4,6-trichlorophenyl)propan-1-ol (PubChem CID 131218511) has the molecular formula C9H10Cl3NO and a molecular weight of 254.54 g/mol. Its IUPAC name is (2R)-2-amino-2-(2,4,6-trichlorophenyl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-(2,4,6-trichlorophenyl)propan-1-ol
PubChem CID131218511
Molecular FormulaC9H10Cl3NO
Molecular Weight254.54 g/mol
Exact Mass252.98
IUPAC Name(2R)-2-amino-2-(2,4,6-trichlorophenyl)propan-1-ol
SMILESC[C@](N)(CO)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl3NO/c1-9(13,4-14)8-6(11)2-5(10)3-7(8)12/h2-3,14H,4,13H2,1H3/t9-/m0/s1
InChIKeyZOSULMDWXIBZOS-VIFPVBQESA-N
XLogP2.81
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.54
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2,4,6-trichlorophenyl)propan-1-ol?
The IUPAC name of (2R)-2-amino-2-(2,4,6-trichlorophenyl)propan-1-ol (CID 131218511) is (2R)-2-amino-2-(2,4,6-trichlorophenyl)propan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-(2,4,6-trichlorophenyl)propan-1-ol?
The canonical SMILES for (2R)-2-amino-2-(2,4,6-trichlorophenyl)propan-1-ol is C[C@](N)(CO)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of (2R)-2-amino-2-(2,4,6-trichlorophenyl)propan-1-ol?
The InChIKey is ZOSULMDWXIBZOS-VIFPVBQESA-N. The full InChI is InChI=1S/C9H10Cl3NO/c1-9(13,4-14)8-6(11)2-5(10)3-7(8)12/h2-3,14H,4,13H2,1H3/t9-/m0/s1.
What are the key properties of (2R)-2-amino-2-(2,4,6-trichlorophenyl)propan-1-ol?
(2R)-2-amino-2-(2,4,6-trichlorophenyl)propan-1-ol has a molecular weight of 254.54 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2,4,6-trichlorophenyl)propan-1-ol is sourced from PubChem (CID 131218511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).