1-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-difluoropentan-2-ol

C8H13F2NOS — CID 174801264

IUPAC1-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-difluoropentan-2-ol
SMILESCCC(F)(F)C(O)CC1=NCCS1
InChIInChI=1S/C8H13F2NOS/c1-2-8(9,10)6(12)5-7-11-3-4-13-7/h6,12H,2-5H2,1H3
InChIKeyYLRPDIQDMFEAND-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.93
Rot. Bonds4

About 1-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-difluoropentan-2-ol

1-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-difluoropentan-2-ol (PubChem CID 174801264) has the molecular formula C8H13F2NOS and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-difluoropentan-2-ol.

Molecular Properties

Compound Name1-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-difluoropentan-2-ol
PubChem CID174801264
Molecular FormulaC8H13F2NOS
Molecular Weight209.26 g/mol
Exact Mass209.07
IUPAC Name1-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-difluoropentan-2-ol
SMILESCCC(F)(F)C(O)CC1=NCCS1
InChIInChI=1S/C8H13F2NOS/c1-2-8(9,10)6(12)5-7-11-3-4-13-7/h6,12H,2-5H2,1H3
InChIKeyYLRPDIQDMFEAND-UHFFFAOYSA-N
XLogP1.93
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-Dihydro-1,3-thiazol-2-yl)pentan-2-ol
CID 174427211
1-(4,5-Dihydro-1,3-thiazol-2-yl)pentan-1-ol
CID 174434818
1-(4,5-Dihydro-1,3-thiazol-2-yl)butan-1-ol
CID 174788069

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-difluoropentan-2-ol?
The IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-difluoropentan-2-ol (CID 174801264) is 1-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-difluoropentan-2-ol.
What is the SMILES notation for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-difluoropentan-2-ol?
The canonical SMILES for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-difluoropentan-2-ol is CCC(F)(F)C(O)CC1=NCCS1.
What is the InChIKey of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-difluoropentan-2-ol?
The InChIKey is YLRPDIQDMFEAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NOS/c1-2-8(9,10)6(12)5-7-11-3-4-13-7/h6,12H,2-5H2,1H3.
What are the key properties of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-difluoropentan-2-ol?
1-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-difluoropentan-2-ol has a molecular weight of 209.26 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-difluoropentan-2-ol is sourced from PubChem (CID 174801264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).