N-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)hexanamide

C12H23F2NO2 — CID 107482685

IUPACN-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)hexanamide
SMILESCCCCC(CC)C(=O)N(CCO)CC(F)F
InChIInChI=1S/C12H23F2NO2/c1-3-5-6-10(4-2)12(17)15(7-8-16)9-11(13)14/h10-11,16H,3-9H2,1-2H3
InChIKeyHKBULBLALHWPNA-UHFFFAOYSA-N
MW251.32 g/mol
LogP2.29
Rot. Bonds9

About N-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)hexanamide

N-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)hexanamide (PubChem CID 107482685) has the molecular formula C12H23F2NO2 and a molecular weight of 251.32 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)hexanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)hexanamide
PubChem CID107482685
Molecular FormulaC12H23F2NO2
Molecular Weight251.32 g/mol
Exact Mass251.17
IUPAC NameN-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)hexanamide
SMILESCCCCC(CC)C(=O)N(CCO)CC(F)F
InChIInChI=1S/C12H23F2NO2/c1-3-5-6-10(4-2)12(17)15(7-8-16)9-11(13)14/h10-11,16H,3-9H2,1-2H3
InChIKeyHKBULBLALHWPNA-UHFFFAOYSA-N
XLogP2.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(2-hydroxyethyl)-3,7,11,15-tetramethylhexadecanamide
CID 21298079
4-cyclohexyl-N-ethyl-N-(2-hydroxyethyl)butanamide
CID 60653485
2-Hydroxyethyl-dimethyl-(5,5,5-trifluoropentanoyl)azanium
CID 17914030
N-ethyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-hydroxyethyl)heptanamide
CID 53894191
N,N-bis(2-hydroxyethyl)-7-methyloctanamide
CID 54230939
2-ethyl-N,N-bis(2-hydroxyethyl)hexanamide
CID 61233601
4-(2,2-Difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one
CID 67116912
2-ethyl-1-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]hexan-1-one
CID 146509933
2-Ethyl-1-(3-fluoro-4-hydroxypyrrolidin-1-yl)hexan-1-one
CID 146509965
3,3-difluoro-N-(2-hydroxyethyl)-N-methylcyclobutane-1-carboxamide
CID 156297819
N-(3,5-dimethylhexyl)-2-fluoro-N-(2-hydroxyethyl)-2-methylpropanamide
CID 170384189
6-amino-4-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)hexanamide
CID 64343468

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)hexanamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)hexanamide (CID 107482685) is N-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)hexanamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)hexanamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)hexanamide is CCCCC(CC)C(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)hexanamide?
The InChIKey is HKBULBLALHWPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO2/c1-3-5-6-10(4-2)12(17)15(7-8-16)9-11(13)14/h10-11,16H,3-9H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)hexanamide?
N-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)hexanamide has a molecular weight of 251.32 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)hexanamide is sourced from PubChem (CID 107482685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).