3-[[(2R)-butan-2-yl]amino]-N-cyclopropyl-2,2-difluorohexanamide

C13H24F2N2O — CID 71068354

IUPAC3-[[(2R)-butan-2-yl]amino]-N-cyclopropyl-2,2-difluorohexanamide
SMILESCCCC(N[C@H](C)CC)C(F)(F)C(=O)NC1CC1
InChIInChI=1S/C13H24F2N2O/c1-4-6-11(16-9(3)5-2)13(14,15)12(18)17-10-7-8-10/h9-11,16H,4-8H2,1-3H3,(H,17,18)/t9-,11?/m1/s1
InChIKeyGVVPCECVHYJPKK-BFHBGLAWSA-N
MW262.34 g/mol
LogP2.46
Rot. Bonds8

About 3-[[(2R)-butan-2-yl]amino]-N-cyclopropyl-2,2-difluorohexanamide

3-[[(2R)-butan-2-yl]amino]-N-cyclopropyl-2,2-difluorohexanamide (PubChem CID 71068354) has the molecular formula C13H24F2N2O and a molecular weight of 262.34 g/mol. Its IUPAC name is 3-[[(2R)-butan-2-yl]amino]-N-cyclopropyl-2,2-difluorohexanamide.

Molecular Properties

Compound Name3-[[(2R)-butan-2-yl]amino]-N-cyclopropyl-2,2-difluorohexanamide
PubChem CID71068354
Molecular FormulaC13H24F2N2O
Molecular Weight262.34 g/mol
Exact Mass262.19
IUPAC Name3-[[(2R)-butan-2-yl]amino]-N-cyclopropyl-2,2-difluorohexanamide
SMILESCCCC(N[C@H](C)CC)C(F)(F)C(=O)NC1CC1
InChIInChI=1S/C13H24F2N2O/c1-4-6-11(16-9(3)5-2)13(14,15)12(18)17-10-7-8-10/h9-11,16H,4-8H2,1-3H3,(H,17,18)/t9-,11?/m1/s1
InChIKeyGVVPCECVHYJPKK-BFHBGLAWSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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-[[(2R)-butan-2-yl]amino]-N-cyclopropyl-2,2-difluorohexanamide?
The IUPAC name of 3-[[(2R)-butan-2-yl]amino]-N-cyclopropyl-2,2-difluorohexanamide (CID 71068354) is 3-[[(2R)-butan-2-yl]amino]-N-cyclopropyl-2,2-difluorohexanamide.
What is the SMILES notation for 3-[[(2R)-butan-2-yl]amino]-N-cyclopropyl-2,2-difluorohexanamide?
The canonical SMILES for 3-[[(2R)-butan-2-yl]amino]-N-cyclopropyl-2,2-difluorohexanamide is CCCC(N[C@H](C)CC)C(F)(F)C(=O)NC1CC1.
What is the InChIKey of 3-[[(2R)-butan-2-yl]amino]-N-cyclopropyl-2,2-difluorohexanamide?
The InChIKey is GVVPCECVHYJPKK-BFHBGLAWSA-N. The full InChI is InChI=1S/C13H24F2N2O/c1-4-6-11(16-9(3)5-2)13(14,15)12(18)17-10-7-8-10/h9-11,16H,4-8H2,1-3H3,(H,17,18)/t9-,11?/m1/s1.
What are the key properties of 3-[[(2R)-butan-2-yl]amino]-N-cyclopropyl-2,2-difluorohexanamide?
3-[[(2R)-butan-2-yl]amino]-N-cyclopropyl-2,2-difluorohexanamide has a molecular weight of 262.34 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-butan-2-yl]amino]-N-cyclopropyl-2,2-difluorohexanamide is sourced from PubChem (CID 71068354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).