(2R)-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propanal

C7H6F3NOS — CID 175028902

IUPAC(2R)-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propanal
SMILESC[C@@H](C=O)c1csc(C(F)(F)F)n1
InChIInChI=1S/C7H6F3NOS/c1-4(2-12)5-3-13-6(11-5)7(8,9)10/h2-4H,1H3/t4-/m0/s1
InChIKeyNDWAPNYQNHGNSM-BYPYZUCNSA-N
MW209.19 g/mol
LogP2.46
Rot. Bonds2

About (2R)-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propanal

(2R)-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propanal (PubChem CID 175028902) has the molecular formula C7H6F3NOS and a molecular weight of 209.19 g/mol. Its IUPAC name is (2R)-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propanal.

Molecular Properties

Compound Name(2R)-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propanal
PubChem CID175028902
Molecular FormulaC7H6F3NOS
Molecular Weight209.19 g/mol
Exact Mass209.01
IUPAC Name(2R)-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propanal
SMILESC[C@@H](C=O)c1csc(C(F)(F)F)n1
InChIInChI=1S/C7H6F3NOS/c1-4(2-12)5-3-13-6(11-5)7(8,9)10/h2-4H,1H3/t4-/m0/s1
InChIKeyNDWAPNYQNHGNSM-BYPYZUCNSA-N
XLogP2.46
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propanal?
The IUPAC name of (2R)-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propanal (CID 175028902) is (2R)-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propanal.
What is the SMILES notation for (2R)-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propanal?
The canonical SMILES for (2R)-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propanal is C[C@@H](C=O)c1csc(C(F)(F)F)n1.
What is the InChIKey of (2R)-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propanal?
The InChIKey is NDWAPNYQNHGNSM-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H6F3NOS/c1-4(2-12)5-3-13-6(11-5)7(8,9)10/h2-4H,1H3/t4-/m0/s1.
What are the key properties of (2R)-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propanal?
(2R)-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propanal has a molecular weight of 209.19 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propanal is sourced from PubChem (CID 175028902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).