N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide

C12H21F2NO — CID 171608683

IUPACN-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide
SMILESCC(F)(F)C(=O)NC(CC1CC1)C(C)(C)C
InChIInChI=1S/C12H21F2NO/c1-11(2,3)9(7-8-5-6-8)15-10(16)12(4,13)14/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKeyJNCGPTAUQPHSOW-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.97
Rot. Bonds4

About N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide

N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide (PubChem CID 171608683) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide
PubChem CID171608683
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC NameN-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide
SMILESCC(F)(F)C(=O)NC(CC1CC1)C(C)(C)C
InChIInChI=1S/C12H21F2NO/c1-11(2,3)9(7-8-5-6-8)15-10(16)12(4,13)14/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKeyJNCGPTAUQPHSOW-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide?
The IUPAC name of N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide (CID 171608683) is N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide.
What is the SMILES notation for N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide?
The canonical SMILES for N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide is CC(F)(F)C(=O)NC(CC1CC1)C(C)(C)C.
What is the InChIKey of N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide?
The InChIKey is JNCGPTAUQPHSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO/c1-11(2,3)9(7-8-5-6-8)15-10(16)12(4,13)14/h8-9H,5-7H2,1-4H3,(H,15,16).
What are the key properties of N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide?
N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide has a molecular weight of 233.30 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide is sourced from PubChem (CID 171608683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).