N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide

C13H21F2N3O2 — CID 107482607

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide
SMILESCCCC(CC(=O)N(CCO)CC(F)F)n1ccnc1
InChIInChI=1S/C13H21F2N3O2/c1-2-3-11(18-5-4-16-10-18)8-13(20)17(6-7-19)9-12(14)15/h4-5,10-12,19H,2-3,6-9H2,1H3
InChIKeyYHQRATUMHBUDGM-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.70
Rot. Bonds9

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide (PubChem CID 107482607) has the molecular formula C13H21F2N3O2 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide
PubChem CID107482607
Molecular FormulaC13H21F2N3O2
Molecular Weight289.33 g/mol
Exact Mass289.16
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide
SMILESCCCC(CC(=O)N(CCO)CC(F)F)n1ccnc1
InChIInChI=1S/C13H21F2N3O2/c1-2-3-11(18-5-4-16-10-18)8-13(20)17(6-7-19)9-12(14)15/h4-5,10-12,19H,2-3,6-9H2,1H3
InChIKeyYHQRATUMHBUDGM-UHFFFAOYSA-N
XLogP1.70
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide (CID 107482607) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide is CCCC(CC(=O)N(CCO)CC(F)F)n1ccnc1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide?
The InChIKey is YHQRATUMHBUDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3O2/c1-2-3-11(18-5-4-16-10-18)8-13(20)17(6-7-19)9-12(14)15/h4-5,10-12,19H,2-3,6-9H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide has a molecular weight of 289.33 g/mol, XLogP of 1.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide is sourced from PubChem (CID 107482607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).