2,2-difluoro-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-ol

C7H9F2NO2S — CID 130698711

IUPAC2,2-difluoro-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-ol
SMILESCOc1cc(C(O)C(C)(F)F)sn1
InChIInChI=1S/C7H9F2NO2S/c1-7(8,9)6(11)4-3-5(12-2)10-13-4/h3,6,11H,1-2H3
InChIKeyCBWBOSUGOJFBBM-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.84
Rot. Bonds3

About 2,2-difluoro-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-ol

2,2-difluoro-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-ol (PubChem CID 130698711) has the molecular formula C7H9F2NO2S and a molecular weight of 209.22 g/mol. Its IUPAC name is 2,2-difluoro-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-ol
PubChem CID130698711
Molecular FormulaC7H9F2NO2S
Molecular Weight209.22 g/mol
Exact Mass209.03
IUPAC Name2,2-difluoro-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-ol
SMILESCOc1cc(C(O)C(C)(F)F)sn1
InChIInChI=1S/C7H9F2NO2S/c1-7(8,9)6(11)4-3-5(12-2)10-13-4/h3,6,11H,1-2H3
InChIKeyCBWBOSUGOJFBBM-UHFFFAOYSA-N
XLogP1.84
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-ol?
The IUPAC name of 2,2-difluoro-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-ol (CID 130698711) is 2,2-difluoro-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-ol?
The canonical SMILES for 2,2-difluoro-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-ol is COc1cc(C(O)C(C)(F)F)sn1.
What is the InChIKey of 2,2-difluoro-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-ol?
The InChIKey is CBWBOSUGOJFBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO2S/c1-7(8,9)6(11)4-3-5(12-2)10-13-4/h3,6,11H,1-2H3.
What are the key properties of 2,2-difluoro-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-ol?
2,2-difluoro-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-ol has a molecular weight of 209.22 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-ol is sourced from PubChem (CID 130698711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).