(2R)-1,1,1-trifluoro-3-(4-iodopyrazol-1-yl)propan-2-ol

C6H6F3IN2O — CID 118693293

IUPAC(2R)-1,1,1-trifluoro-3-(4-iodopyrazol-1-yl)propan-2-ol
SMILESO[C@H](Cn1cc(I)cn1)C(F)(F)F
InChIInChI=1S/C6H6F3IN2O/c7-6(8,9)5(13)3-12-2-4(10)1-11-12/h1-2,5,13H,3H2/t5-/m1/s1
InChIKeyLTLJVCAZLJSOAP-RXMQYKEDSA-N
MW306.03 g/mol
LogP1.41
Rot. Bonds2

About (2R)-1,1,1-trifluoro-3-(4-iodopyrazol-1-yl)propan-2-ol

(2R)-1,1,1-trifluoro-3-(4-iodopyrazol-1-yl)propan-2-ol (PubChem CID 118693293) has the molecular formula C6H6F3IN2O and a molecular weight of 306.03 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-3-(4-iodopyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-3-(4-iodopyrazol-1-yl)propan-2-ol
PubChem CID118693293
Molecular FormulaC6H6F3IN2O
Molecular Weight306.03 g/mol
Exact Mass305.95
IUPAC Name(2R)-1,1,1-trifluoro-3-(4-iodopyrazol-1-yl)propan-2-ol
SMILESO[C@H](Cn1cc(I)cn1)C(F)(F)F
InChIInChI=1S/C6H6F3IN2O/c7-6(8,9)5(13)3-12-2-4(10)1-11-12/h1-2,5,13H,3H2/t5-/m1/s1
InChIKeyLTLJVCAZLJSOAP-RXMQYKEDSA-N
XLogP1.41
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.03
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-3-(4-iodopyrazol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-3-(4-iodopyrazol-1-yl)propan-2-ol (CID 118693293) is (2R)-1,1,1-trifluoro-3-(4-iodopyrazol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-3-(4-iodopyrazol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-3-(4-iodopyrazol-1-yl)propan-2-ol is O[C@H](Cn1cc(I)cn1)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1-trifluoro-3-(4-iodopyrazol-1-yl)propan-2-ol?
The InChIKey is LTLJVCAZLJSOAP-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H6F3IN2O/c7-6(8,9)5(13)3-12-2-4(10)1-11-12/h1-2,5,13H,3H2/t5-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-3-(4-iodopyrazol-1-yl)propan-2-ol?
(2R)-1,1,1-trifluoro-3-(4-iodopyrazol-1-yl)propan-2-ol has a molecular weight of 306.03 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-3-(4-iodopyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 118693293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).