N-(2,2-difluoropropyl)-3-methyl-3-(2H-tetrazol-5-yl)butanamide

C9H15F2N5O — CID 167919523

IUPACN-(2,2-difluoropropyl)-3-methyl-3-(2H-tetrazol-5-yl)butanamide
SMILESCC(F)(F)CNC(=O)CC(C)(C)c1nn[nH]n1
InChIInChI=1S/C9H15F2N5O/c1-8(2,7-13-15-16-14-7)4-6(17)12-5-9(3,10)11/h4-5H2,1-3H3,(H,12,17)(H,13,14,15,16)
InChIKeyMTJGBDYTBBUBHX-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.64
Rot. Bonds5

About N-(2,2-difluoropropyl)-3-methyl-3-(2H-tetrazol-5-yl)butanamide

N-(2,2-difluoropropyl)-3-methyl-3-(2H-tetrazol-5-yl)butanamide (PubChem CID 167919523) has the molecular formula C9H15F2N5O and a molecular weight of 247.25 g/mol. Its IUPAC name is N-(2,2-difluoropropyl)-3-methyl-3-(2H-tetrazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(2,2-difluoropropyl)-3-methyl-3-(2H-tetrazol-5-yl)butanamide
PubChem CID167919523
Molecular FormulaC9H15F2N5O
Molecular Weight247.25 g/mol
Exact Mass247.12
IUPAC NameN-(2,2-difluoropropyl)-3-methyl-3-(2H-tetrazol-5-yl)butanamide
SMILESCC(F)(F)CNC(=O)CC(C)(C)c1nn[nH]n1
InChIInChI=1S/C9H15F2N5O/c1-8(2,7-13-15-16-14-7)4-6(17)12-5-9(3,10)11/h4-5H2,1-3H3,(H,12,17)(H,13,14,15,16)
InChIKeyMTJGBDYTBBUBHX-UHFFFAOYSA-N
XLogP0.64
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-4-(2H-tetrazol-5-yl)pentan-2-one
CID 143632830
2,2-difluoropropylurea
CID 123994656
2,2,4-trimethyl-4-(2H-tetrazol-5-yl)pentanoyl iodide
CID 148785658
3,3-dimethyl-N-(2H-tetrazol-5-yl)butanamide
CID 1225874
2-methyl-2-(2H-tetrazol-5-yl)pentan-3-one
CID 89112241
ethyl 2-methyl-2-(2H-tetrazol-5-yl)propanoate
CID 10797568
5-(2-methylhexan-2-yl)-2H-tetrazole
CID 166949125
methyl N-(2,2-difluoropropyl)carbamate
CID 90076527
5-(2-ethoxypropan-2-yl)-2H-tetrazole
CID 116701279
5-(2-methyl-1-phenylpropan-2-yl)-2H-tetrazole
CID 54416981
5-[difluoro(nitro)methyl]-2H-tetrazole
CID 2827682
N-(2,2-difluoropropyl)-2-methylpropanamide
CID 130436254

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoropropyl)-3-methyl-3-(2H-tetrazol-5-yl)butanamide?
The IUPAC name of N-(2,2-difluoropropyl)-3-methyl-3-(2H-tetrazol-5-yl)butanamide (CID 167919523) is N-(2,2-difluoropropyl)-3-methyl-3-(2H-tetrazol-5-yl)butanamide.
What is the SMILES notation for N-(2,2-difluoropropyl)-3-methyl-3-(2H-tetrazol-5-yl)butanamide?
The canonical SMILES for N-(2,2-difluoropropyl)-3-methyl-3-(2H-tetrazol-5-yl)butanamide is CC(F)(F)CNC(=O)CC(C)(C)c1nn[nH]n1.
What is the InChIKey of N-(2,2-difluoropropyl)-3-methyl-3-(2H-tetrazol-5-yl)butanamide?
The InChIKey is MTJGBDYTBBUBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N5O/c1-8(2,7-13-15-16-14-7)4-6(17)12-5-9(3,10)11/h4-5H2,1-3H3,(H,12,17)(H,13,14,15,16).
What are the key properties of N-(2,2-difluoropropyl)-3-methyl-3-(2H-tetrazol-5-yl)butanamide?
N-(2,2-difluoropropyl)-3-methyl-3-(2H-tetrazol-5-yl)butanamide has a molecular weight of 247.25 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoropropyl)-3-methyl-3-(2H-tetrazol-5-yl)butanamide is sourced from PubChem (CID 167919523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).