N-(2,2-difluoroethyl)-3-(ethylamino)-N-(2-hydroxyethyl)butanamide

C10H20F2N2O2 — CID 107479330

IUPACN-(2,2-difluoroethyl)-3-(ethylamino)-N-(2-hydroxyethyl)butanamide
SMILESCCNC(C)CC(=O)N(CCO)CC(F)F
InChIInChI=1S/C10H20F2N2O2/c1-3-13-8(2)6-10(16)14(4-5-15)7-9(11)12/h8-9,13,15H,3-7H2,1-2H3
InChIKeyGOICCLBPYPICAX-UHFFFAOYSA-N
MW238.28 g/mol
LogP0.46
Rot. Bonds8

About N-(2,2-difluoroethyl)-3-(ethylamino)-N-(2-hydroxyethyl)butanamide

N-(2,2-difluoroethyl)-3-(ethylamino)-N-(2-hydroxyethyl)butanamide (PubChem CID 107479330) has the molecular formula C10H20F2N2O2 and a molecular weight of 238.28 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-(ethylamino)-N-(2-hydroxyethyl)butanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-(ethylamino)-N-(2-hydroxyethyl)butanamide
PubChem CID107479330
Molecular FormulaC10H20F2N2O2
Molecular Weight238.28 g/mol
Exact Mass238.15
IUPAC NameN-(2,2-difluoroethyl)-3-(ethylamino)-N-(2-hydroxyethyl)butanamide
SMILESCCNC(C)CC(=O)N(CCO)CC(F)F
InChIInChI=1S/C10H20F2N2O2/c1-3-13-8(2)6-10(16)14(4-5-15)7-9(11)12/h8-9,13,15H,3-7H2,1-2H3
InChIKeyGOICCLBPYPICAX-UHFFFAOYSA-N
XLogP0.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[4-[2-hydroxypropyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]acetamide
CID 10524722
3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxy-N-(2-methylpropyl)butanamide
CID 134349474
2-hydroxy-N-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)butanamide
CID 134349745
N-(2-hydroxyethyl)-N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide
CID 163783100
N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 171073943
N-tert-butyl-2,2-difluoro-N'-(2-hydroxyethyl)propanediamide
CID 177087468
2,2-difluoro-N-(2-hydroxyethyl)-3-(2-hydroxyethylamino)propanamide
CID 2758287
2,2,3,3-tetrafluoro-N,N'-bis(1-hydroxybutan-2-yl)butanediamide
CID 2837062
3-[(4-Chloro-2,2,3,3,4,4-hexafluorobutanoyl)amino]propyl-(2-hydroxyethyl)-dimethylazanium
CID 3090435
2,2,3,3,4,4,4-heptafluoro-N-(1-hydroxybutan-2-yl)butanamide
CID 3397681
[2,2-Difluoro-3-(2-hydroxyethylamino)-3-oxopropyl]-(2-hydroxyethyl)azanium
CID 7019452
2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]-N'-[(2R)-1-hydroxybutan-2-yl]butanediamide
CID 27055396

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-(ethylamino)-N-(2-hydroxyethyl)butanamide?
The IUPAC name of N-(2,2-difluoroethyl)-3-(ethylamino)-N-(2-hydroxyethyl)butanamide (CID 107479330) is N-(2,2-difluoroethyl)-3-(ethylamino)-N-(2-hydroxyethyl)butanamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-(ethylamino)-N-(2-hydroxyethyl)butanamide?
The canonical SMILES for N-(2,2-difluoroethyl)-3-(ethylamino)-N-(2-hydroxyethyl)butanamide is CCNC(C)CC(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-3-(ethylamino)-N-(2-hydroxyethyl)butanamide?
The InChIKey is GOICCLBPYPICAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O2/c1-3-13-8(2)6-10(16)14(4-5-15)7-9(11)12/h8-9,13,15H,3-7H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-3-(ethylamino)-N-(2-hydroxyethyl)butanamide?
N-(2,2-difluoroethyl)-3-(ethylamino)-N-(2-hydroxyethyl)butanamide has a molecular weight of 238.28 g/mol, XLogP of 0.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-(ethylamino)-N-(2-hydroxyethyl)butanamide is sourced from PubChem (CID 107479330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).