3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-propan-2-ylpropanamide

C10H20F2N2O2 — CID 107485213

IUPAC3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN(CCO)CC(F)F
InChIInChI=1S/C10H20F2N2O2/c1-8(2)13-10(16)3-4-14(5-6-15)7-9(11)12/h8-9,15H,3-7H2,1-2H3,(H,13,16)
InChIKeyPMWIOXONZGQZAX-UHFFFAOYSA-N
MW238.28 g/mol
LogP0.46
Rot. Bonds8

About 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-propan-2-ylpropanamide

3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-propan-2-ylpropanamide (PubChem CID 107485213) has the molecular formula C10H20F2N2O2 and a molecular weight of 238.28 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-propan-2-ylpropanamide
PubChem CID107485213
Molecular FormulaC10H20F2N2O2
Molecular Weight238.28 g/mol
Exact Mass238.15
IUPAC Name3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN(CCO)CC(F)F
InChIInChI=1S/C10H20F2N2O2/c1-8(2)13-10(16)3-4-14(5-6-15)7-9(11)12/h8-9,15H,3-7H2,1-2H3,(H,13,16)
InChIKeyPMWIOXONZGQZAX-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
N-[(2R)-2-aminopropyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
CID 89421101
N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)propanamide
CID 121359764
N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]propanamide
CID 132250266
ethane;N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide
CID 157037330
ethane;N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)acetamide
CID 157037411
2-fluoro-N-(2-hydroxyethyl)-N'-methylpropanediamide
CID 166119564
2,2-dimethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)propanamide
CID 169874940
2,2-dimethyl-N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]propanamide
CID 169874943
2,2-dimethyl-N-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]propanamide
CID 169874944
N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 171073943
ethane;2-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)propanamide
CID 172270355

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-propan-2-ylpropanamide (CID 107485213) is 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCN(CCO)CC(F)F.
What is the InChIKey of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is PMWIOXONZGQZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O2/c1-8(2)13-10(16)3-4-14(5-6-15)7-9(11)12/h8-9,15H,3-7H2,1-2H3,(H,13,16).
What are the key properties of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-propan-2-ylpropanamide?
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-propan-2-ylpropanamide 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 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 107485213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).