(2R)-3-amino-1,1,1-trifluoro-2-iodopropan-2-ol

C3H5F3INO — CID 152834270

IUPAC(2R)-3-amino-1,1,1-trifluoro-2-iodopropan-2-ol
SMILESNC[C@@](O)(I)C(F)(F)F
InChIInChI=1S/C3H5F3INO/c4-3(5,6)2(7,9)1-8/h9H,1,8H2/t2-/m0/s1
InChIKeySXAFGNUWWJBGGP-REOHCLBHSA-N
MW254.98 g/mol
LogP0.63
Rot. Bonds1

About (2R)-3-amino-1,1,1-trifluoro-2-iodopropan-2-ol

(2R)-3-amino-1,1,1-trifluoro-2-iodopropan-2-ol (PubChem CID 152834270) has the molecular formula C3H5F3INO and a molecular weight of 254.98 g/mol. Its IUPAC name is (2R)-3-amino-1,1,1-trifluoro-2-iodopropan-2-ol.

Molecular Properties

Compound Name(2R)-3-amino-1,1,1-trifluoro-2-iodopropan-2-ol
PubChem CID152834270
Molecular FormulaC3H5F3INO
Molecular Weight254.98 g/mol
Exact Mass254.94
IUPAC Name(2R)-3-amino-1,1,1-trifluoro-2-iodopropan-2-ol
SMILESNC[C@@](O)(I)C(F)(F)F
InChIInChI=1S/C3H5F3INO/c4-3(5,6)2(7,9)1-8/h9H,1,8H2/t2-/m0/s1
InChIKeySXAFGNUWWJBGGP-REOHCLBHSA-N
XLogP0.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.98
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-amino-1,1,1-trifluoro-2-iodopropan-2-ol?
The IUPAC name of (2R)-3-amino-1,1,1-trifluoro-2-iodopropan-2-ol (CID 152834270) is (2R)-3-amino-1,1,1-trifluoro-2-iodopropan-2-ol.
What is the SMILES notation for (2R)-3-amino-1,1,1-trifluoro-2-iodopropan-2-ol?
The canonical SMILES for (2R)-3-amino-1,1,1-trifluoro-2-iodopropan-2-ol is NC[C@@](O)(I)C(F)(F)F.
What is the InChIKey of (2R)-3-amino-1,1,1-trifluoro-2-iodopropan-2-ol?
The InChIKey is SXAFGNUWWJBGGP-REOHCLBHSA-N. The full InChI is InChI=1S/C3H5F3INO/c4-3(5,6)2(7,9)1-8/h9H,1,8H2/t2-/m0/s1.
What are the key properties of (2R)-3-amino-1,1,1-trifluoro-2-iodopropan-2-ol?
(2R)-3-amino-1,1,1-trifluoro-2-iodopropan-2-ol has a molecular weight of 254.98 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-amino-1,1,1-trifluoro-2-iodopropan-2-ol is sourced from PubChem (CID 152834270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).