[2-(1,7-difluoroheptan-4-yl)-1,3-thiazol-4-yl]methanol

C11H17F2NOS — CID 146558472

IUPAC[2-(1,7-difluoroheptan-4-yl)-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(C(CCCF)CCCF)n1
InChIInChI=1S/C11H17F2NOS/c12-5-1-3-9(4-2-6-13)11-14-10(7-15)8-16-11/h8-9,15H,1-7H2
InChIKeyARLRSIQSVSAACL-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.22
Rot. Bonds8

About [2-(1,7-difluoroheptan-4-yl)-1,3-thiazol-4-yl]methanol

[2-(1,7-difluoroheptan-4-yl)-1,3-thiazol-4-yl]methanol (PubChem CID 146558472) has the molecular formula C11H17F2NOS and a molecular weight of 249.33 g/mol. Its IUPAC name is [2-(1,7-difluoroheptan-4-yl)-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(1,7-difluoroheptan-4-yl)-1,3-thiazol-4-yl]methanol
PubChem CID146558472
Molecular FormulaC11H17F2NOS
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name[2-(1,7-difluoroheptan-4-yl)-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(C(CCCF)CCCF)n1
InChIInChI=1S/C11H17F2NOS/c12-5-1-3-9(4-2-6-13)11-14-10(7-15)8-16-11/h8-9,15H,1-7H2
InChIKeyARLRSIQSVSAACL-UHFFFAOYSA-N
XLogP3.22
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1,7-difluoroheptan-4-yl)-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-(1,7-difluoroheptan-4-yl)-1,3-thiazol-4-yl]methanol (CID 146558472) is [2-(1,7-difluoroheptan-4-yl)-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-(1,7-difluoroheptan-4-yl)-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-(1,7-difluoroheptan-4-yl)-1,3-thiazol-4-yl]methanol is OCc1csc(C(CCCF)CCCF)n1.
What is the InChIKey of [2-(1,7-difluoroheptan-4-yl)-1,3-thiazol-4-yl]methanol?
The InChIKey is ARLRSIQSVSAACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NOS/c12-5-1-3-9(4-2-6-13)11-14-10(7-15)8-16-11/h8-9,15H,1-7H2.
What are the key properties of [2-(1,7-difluoroheptan-4-yl)-1,3-thiazol-4-yl]methanol?
[2-(1,7-difluoroheptan-4-yl)-1,3-thiazol-4-yl]methanol has a molecular weight of 249.33 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,7-difluoroheptan-4-yl)-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 146558472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).