N-tert-butyl-3,3-difluorobutanamide

C8H15F2NO — CID 58207456

IUPACN-tert-butyl-3,3-difluorobutanamide
SMILESCC(F)(F)CC(=O)NC(C)(C)C
InChIInChI=1S/C8H15F2NO/c1-7(2,3)11-6(12)5-8(4,9)10/h5H2,1-4H3,(H,11,12)
InChIKeyQYPONTSBTPYHHW-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.95
Rot. Bonds2

About N-tert-butyl-3,3-difluorobutanamide

N-tert-butyl-3,3-difluorobutanamide (PubChem CID 58207456) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is N-tert-butyl-3,3-difluorobutanamide.

Molecular Properties

Compound NameN-tert-butyl-3,3-difluorobutanamide
PubChem CID58207456
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC NameN-tert-butyl-3,3-difluorobutanamide
SMILESCC(F)(F)CC(=O)NC(C)(C)C
InChIInChI=1S/C8H15F2NO/c1-7(2,3)11-6(12)5-8(4,9)10/h5H2,1-4H3,(H,11,12)
InChIKeyQYPONTSBTPYHHW-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,3-difluorobutanamide?
The IUPAC name of N-tert-butyl-3,3-difluorobutanamide (CID 58207456) is N-tert-butyl-3,3-difluorobutanamide.
What is the SMILES notation for N-tert-butyl-3,3-difluorobutanamide?
The canonical SMILES for N-tert-butyl-3,3-difluorobutanamide is CC(F)(F)CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3,3-difluorobutanamide?
The InChIKey is QYPONTSBTPYHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-7(2,3)11-6(12)5-8(4,9)10/h5H2,1-4H3,(H,11,12).
What are the key properties of N-tert-butyl-3,3-difluorobutanamide?
N-tert-butyl-3,3-difluorobutanamide has a molecular weight of 179.21 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,3-difluorobutanamide is sourced from PubChem (CID 58207456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).