4,4-difluoro-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide

C9H15F2N5O — CID 166312629

IUPAC4,4-difluoro-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide
SMILESCCC(Cc1nn[nH]n1)NC(=O)CCC(F)F
InChIInChI=1S/C9H15F2N5O/c1-2-6(5-8-13-15-16-14-8)12-9(17)4-3-7(10)11/h6-7H,2-5H2,1H3,(H,12,17)(H,13,14,15,16)
InChIKeyGKSYHDKOWNUFIR-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.68
Rot. Bonds7

About 4,4-difluoro-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide

4,4-difluoro-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide (PubChem CID 166312629) has the molecular formula C9H15F2N5O and a molecular weight of 247.25 g/mol. Its IUPAC name is 4,4-difluoro-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide.

Molecular Properties

Compound Name4,4-difluoro-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide
PubChem CID166312629
Molecular FormulaC9H15F2N5O
Molecular Weight247.25 g/mol
Exact Mass247.12
IUPAC Name4,4-difluoro-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide
SMILESCCC(Cc1nn[nH]n1)NC(=O)CCC(F)F
InChIInChI=1S/C9H15F2N5O/c1-2-6(5-8-13-15-16-14-8)12-9(17)4-3-7(10)11/h6-7H,2-5H2,1H3,(H,12,17)(H,13,14,15,16)
InChIKeyGKSYHDKOWNUFIR-UHFFFAOYSA-N
XLogP0.68
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide?
The IUPAC name of 4,4-difluoro-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide (CID 166312629) is 4,4-difluoro-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide.
What is the SMILES notation for 4,4-difluoro-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide?
The canonical SMILES for 4,4-difluoro-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide is CCC(Cc1nn[nH]n1)NC(=O)CCC(F)F.
What is the InChIKey of 4,4-difluoro-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide?
The InChIKey is GKSYHDKOWNUFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N5O/c1-2-6(5-8-13-15-16-14-8)12-9(17)4-3-7(10)11/h6-7H,2-5H2,1H3,(H,12,17)(H,13,14,15,16).
What are the key properties of 4,4-difluoro-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide?
4,4-difluoro-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide has a molecular weight of 247.25 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide is sourced from PubChem (CID 166312629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).