3-(tert-butylamino)-N-cyclopropyl-2,2-difluorohexanamide

C13H24F2N2O — CID 58331629

IUPAC3-(tert-butylamino)-N-cyclopropyl-2,2-difluorohexanamide
SMILESCCCC(NC(C)(C)C)C(F)(F)C(=O)NC1CC1
InChIInChI=1S/C13H24F2N2O/c1-5-6-10(17-12(2,3)4)13(14,15)11(18)16-9-7-8-9/h9-10,17H,5-8H2,1-4H3,(H,16,18)
InChIKeyQJDWDYWZDVUFDH-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.46
Rot. Bonds6

About 3-(tert-butylamino)-N-cyclopropyl-2,2-difluorohexanamide

3-(tert-butylamino)-N-cyclopropyl-2,2-difluorohexanamide (PubChem CID 58331629) has the molecular formula C13H24F2N2O and a molecular weight of 262.34 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-cyclopropyl-2,2-difluorohexanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-cyclopropyl-2,2-difluorohexanamide
PubChem CID58331629
Molecular FormulaC13H24F2N2O
Molecular Weight262.34 g/mol
Exact Mass262.19
IUPAC Name3-(tert-butylamino)-N-cyclopropyl-2,2-difluorohexanamide
SMILESCCCC(NC(C)(C)C)C(F)(F)C(=O)NC1CC1
InChIInChI=1S/C13H24F2N2O/c1-5-6-10(17-12(2,3)4)13(14,15)11(18)16-9-7-8-9/h9-10,17H,5-8H2,1-4H3,(H,16,18)
InChIKeyQJDWDYWZDVUFDH-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-cyclopropyl-2,2-difluorohexanamide?
The IUPAC name of 3-(tert-butylamino)-N-cyclopropyl-2,2-difluorohexanamide (CID 58331629) is 3-(tert-butylamino)-N-cyclopropyl-2,2-difluorohexanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-cyclopropyl-2,2-difluorohexanamide?
The canonical SMILES for 3-(tert-butylamino)-N-cyclopropyl-2,2-difluorohexanamide is CCCC(NC(C)(C)C)C(F)(F)C(=O)NC1CC1.
What is the InChIKey of 3-(tert-butylamino)-N-cyclopropyl-2,2-difluorohexanamide?
The InChIKey is QJDWDYWZDVUFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O/c1-5-6-10(17-12(2,3)4)13(14,15)11(18)16-9-7-8-9/h9-10,17H,5-8H2,1-4H3,(H,16,18).
What are the key properties of 3-(tert-butylamino)-N-cyclopropyl-2,2-difluorohexanamide?
3-(tert-butylamino)-N-cyclopropyl-2,2-difluorohexanamide has a molecular weight of 262.34 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-cyclopropyl-2,2-difluorohexanamide is sourced from PubChem (CID 58331629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).