2-cyano-N-(2,2-difluoro-3-hydroxypropyl)-2-propylpentanamide

C12H20F2N2O2 — CID 106173576

IUPAC2-cyano-N-(2,2-difluoro-3-hydroxypropyl)-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NCC(F)(F)CO
InChIInChI=1S/C12H20F2N2O2/c1-3-5-11(7-15,6-4-2)10(18)16-8-12(13,14)9-17/h17H,3-6,8-9H2,1-2H3,(H,16,18)
InChIKeyBGOVQAMJCWUUDP-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.84
Rot. Bonds8

About 2-cyano-N-(2,2-difluoro-3-hydroxypropyl)-2-propylpentanamide

2-cyano-N-(2,2-difluoro-3-hydroxypropyl)-2-propylpentanamide (PubChem CID 106173576) has the molecular formula C12H20F2N2O2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 2-cyano-N-(2,2-difluoro-3-hydroxypropyl)-2-propylpentanamide.

Molecular Properties

Compound Name2-cyano-N-(2,2-difluoro-3-hydroxypropyl)-2-propylpentanamide
PubChem CID106173576
Molecular FormulaC12H20F2N2O2
Molecular Weight262.30 g/mol
Exact Mass262.15
IUPAC Name2-cyano-N-(2,2-difluoro-3-hydroxypropyl)-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NCC(F)(F)CO
InChIInChI=1S/C12H20F2N2O2/c1-3-5-11(7-15,6-4-2)10(18)16-8-12(13,14)9-17/h17H,3-6,8-9H2,1-2H3,(H,16,18)
InChIKeyBGOVQAMJCWUUDP-UHFFFAOYSA-N
XLogP1.84
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,2-difluoro-3-hydroxypropyl)-2-propylpentanamide?
The IUPAC name of 2-cyano-N-(2,2-difluoro-3-hydroxypropyl)-2-propylpentanamide (CID 106173576) is 2-cyano-N-(2,2-difluoro-3-hydroxypropyl)-2-propylpentanamide.
What is the SMILES notation for 2-cyano-N-(2,2-difluoro-3-hydroxypropyl)-2-propylpentanamide?
The canonical SMILES for 2-cyano-N-(2,2-difluoro-3-hydroxypropyl)-2-propylpentanamide is CCCC(C#N)(CCC)C(=O)NCC(F)(F)CO.
What is the InChIKey of 2-cyano-N-(2,2-difluoro-3-hydroxypropyl)-2-propylpentanamide?
The InChIKey is BGOVQAMJCWUUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O2/c1-3-5-11(7-15,6-4-2)10(18)16-8-12(13,14)9-17/h17H,3-6,8-9H2,1-2H3,(H,16,18).
What are the key properties of 2-cyano-N-(2,2-difluoro-3-hydroxypropyl)-2-propylpentanamide?
2-cyano-N-(2,2-difluoro-3-hydroxypropyl)-2-propylpentanamide has a molecular weight of 262.30 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,2-difluoro-3-hydroxypropyl)-2-propylpentanamide is sourced from PubChem (CID 106173576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).