(2R)-4-(1,1-difluoroethyl)-2-methyl-2,3-dihydro-1,3-thiazole

C6H9F2NS — CID 118438714

IUPAC(2R)-4-(1,1-difluoroethyl)-2-methyl-2,3-dihydro-1,3-thiazole
SMILESC[C@@H]1NC(C(C)(F)F)=CS1
InChIInChI=1S/C6H9F2NS/c1-4-9-5(3-10-4)6(2,7)8/h3-4,9H,1-2H3/t4-/m1/s1
InChIKeyPZEKJQGKJROHLN-SCSAIBSYSA-N
MW165.21 g/mol
LogP2.17
Rot. Bonds1

About (2R)-4-(1,1-difluoroethyl)-2-methyl-2,3-dihydro-1,3-thiazole

(2R)-4-(1,1-difluoroethyl)-2-methyl-2,3-dihydro-1,3-thiazole (PubChem CID 118438714) has the molecular formula C6H9F2NS and a molecular weight of 165.21 g/mol. Its IUPAC name is (2R)-4-(1,1-difluoroethyl)-2-methyl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(2R)-4-(1,1-difluoroethyl)-2-methyl-2,3-dihydro-1,3-thiazole
PubChem CID118438714
Molecular FormulaC6H9F2NS
Molecular Weight165.21 g/mol
Exact Mass165.04
IUPAC Name(2R)-4-(1,1-difluoroethyl)-2-methyl-2,3-dihydro-1,3-thiazole
SMILESC[C@@H]1NC(C(C)(F)F)=CS1
InChIInChI=1S/C6H9F2NS/c1-4-9-5(3-10-4)6(2,7)8/h3-4,9H,1-2H3/t4-/m1/s1
InChIKeyPZEKJQGKJROHLN-SCSAIBSYSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(1,1-difluoroethyl)-2-methyl-2,3-dihydro-1,3-thiazole?
The IUPAC name of (2R)-4-(1,1-difluoroethyl)-2-methyl-2,3-dihydro-1,3-thiazole (CID 118438714) is (2R)-4-(1,1-difluoroethyl)-2-methyl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for (2R)-4-(1,1-difluoroethyl)-2-methyl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for (2R)-4-(1,1-difluoroethyl)-2-methyl-2,3-dihydro-1,3-thiazole is C[C@@H]1NC(C(C)(F)F)=CS1.
What is the InChIKey of (2R)-4-(1,1-difluoroethyl)-2-methyl-2,3-dihydro-1,3-thiazole?
The InChIKey is PZEKJQGKJROHLN-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H9F2NS/c1-4-9-5(3-10-4)6(2,7)8/h3-4,9H,1-2H3/t4-/m1/s1.
What are the key properties of (2R)-4-(1,1-difluoroethyl)-2-methyl-2,3-dihydro-1,3-thiazole?
(2R)-4-(1,1-difluoroethyl)-2-methyl-2,3-dihydro-1,3-thiazole has a molecular weight of 165.21 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(1,1-difluoroethyl)-2-methyl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 118438714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).