2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide

C13H22F2N2O2 — CID 107479529

IUPAC2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)N(CCO)CC(F)F
InChIInChI=1S/C13H22F2N2O2/c1-3-5-13(10-16,6-4-2)12(19)17(7-8-18)9-11(14)15/h11,18H,3-9H2,1-2H3
InChIKeyKTICIRRMFAEDNT-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.18
Rot. Bonds9

About 2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide

2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide (PubChem CID 107479529) has the molecular formula C13H22F2N2O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide.

Molecular Properties

Compound Name2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide
PubChem CID107479529
Molecular FormulaC13H22F2N2O2
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)N(CCO)CC(F)F
InChIInChI=1S/C13H22F2N2O2/c1-3-5-13(10-16,6-4-2)12(19)17(7-8-18)9-11(14)15/h11,18H,3-9H2,1-2H3
InChIKeyKTICIRRMFAEDNT-UHFFFAOYSA-N
XLogP2.18
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide?
The IUPAC name of 2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide (CID 107479529) is 2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide.
What is the SMILES notation for 2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide?
The canonical SMILES for 2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide is CCCC(C#N)(CCC)C(=O)N(CCO)CC(F)F.
What is the InChIKey of 2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide?
The InChIKey is KTICIRRMFAEDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O2/c1-3-5-13(10-16,6-4-2)12(19)17(7-8-18)9-11(14)15/h11,18H,3-9H2,1-2H3.
What are the key properties of 2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide?
2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide has a molecular weight of 276.33 g/mol, XLogP of 2.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide is sourced from PubChem (CID 107479529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).