N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide

C8H15F2NO — CID 103516032

IUPACN-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide
SMILESCC(NC(=O)C(F)F)C(C)(C)C
InChIInChI=1S/C8H15F2NO/c1-5(8(2,3)4)11-7(12)6(9)10/h5-6H,1-4H3,(H,11,12)
InChIKeyBPRSSEHXKJSQAZ-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.80
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide

N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide (PubChem CID 103516032) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide
PubChem CID103516032
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC NameN-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide
SMILESCC(NC(=O)C(F)F)C(C)(C)C
InChIInChI=1S/C8H15F2NO/c1-5(8(2,3)4)11-7(12)6(9)10/h5-6H,1-4H3,(H,11,12)
InChIKeyBPRSSEHXKJSQAZ-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,2-Trifluoro-N-isopropylacetamide
CID 2305253
N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide
CID 87159632
N-[(2R)-1,1,1-trifluorobutan-2-yl]acetamide
CID 121358070
N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide
CID 121358074
N-butan-2-yl-2,2,2-trifluoroacetamide
CID 587638
Acetamide, N-(1,2,2-trimethylpropyl)-
CID 9793813
Acetamide, N-[(1R)-1,2,2-trimethylpropyl]-
CID 11116174
N-[(2S)-3,3-dimethylbutan-2-yl]acetamide
CID 11205812
N-butan-2-yl-2,2-bis(trifluoromethyl)butanamide
CID 3326094
N-butan-2-yl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide
CID 3588417
N-butan-2-yl-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide
CID 3630421
Acetamide, N-(1-ethylpropyl)-2,2,2-trifluoro-
CID 592909

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide (CID 103516032) is N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide is CC(NC(=O)C(F)F)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide?
The InChIKey is BPRSSEHXKJSQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-5(8(2,3)4)11-7(12)6(9)10/h5-6H,1-4H3,(H,11,12).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide?
N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide has a molecular weight of 179.21 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide is sourced from PubChem (CID 103516032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).