N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

C11H13F2N5O2S — CID 107483185

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2cccs2)n1)N(CCO)CC(F)F
InChIInChI=1S/C11H13F2N5O2S/c12-9(13)6-17(3-4-19)10(20)7-18-15-11(14-16-18)8-2-1-5-21-8/h1-2,5,9,19H,3-4,6-7H2
InChIKeyOJYKGQGSVPQCJP-UHFFFAOYSA-N
MW317.32 g/mol
LogP0.49
Rot. Bonds7

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (PubChem CID 107483185) has the molecular formula C11H13F2N5O2S and a molecular weight of 317.32 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
PubChem CID107483185
Molecular FormulaC11H13F2N5O2S
Molecular Weight317.32 g/mol
Exact Mass317.08
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2cccs2)n1)N(CCO)CC(F)F
InChIInChI=1S/C11H13F2N5O2S/c12-9(13)6-17(3-4-19)10(20)7-18-15-11(14-16-18)8-2-1-5-21-8/h1-2,5,9,19H,3-4,6-7H2
InChIKeyOJYKGQGSVPQCJP-UHFFFAOYSA-N
XLogP0.49
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (CID 107483185) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2cccs2)n1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The InChIKey is OJYKGQGSVPQCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5O2S/c12-9(13)6-17(3-4-19)10(20)7-18-15-11(14-16-18)8-2-1-5-21-8/h1-2,5,9,19H,3-4,6-7H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide has a molecular weight of 317.32 g/mol, XLogP of 0.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 107483185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).