N-(2,2-difluoro-3-hydroxypropyl)propanamide;ethane

C8H17F2NO2 — CID 170583212

IUPACN-(2,2-difluoro-3-hydroxypropyl)propanamide;ethane
SMILESCC.CCC(=O)NCC(F)(F)CO
InChIInChI=1S/C6H11F2NO2.C2H6/c1-2-5(11)9-3-6(7,8)4-10;1-2/h10H,2-4H2,1H3,(H,9,11);1-2H3
InChIKeyFBDATLAAQSHYRR-UHFFFAOYSA-N
MW197.22 g/mol
LogP1.17
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)propanamide;ethane

N-(2,2-difluoro-3-hydroxypropyl)propanamide;ethane (PubChem CID 170583212) has the molecular formula C8H17F2NO2 and a molecular weight of 197.22 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)propanamide;ethane.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)propanamide;ethane
PubChem CID170583212
Molecular FormulaC8H17F2NO2
Molecular Weight197.22 g/mol
Exact Mass197.12
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)propanamide;ethane
SMILESCC.CCC(=O)NCC(F)(F)CO
InChIInChI=1S/C6H11F2NO2.C2H6/c1-2-5(11)9-3-6(7,8)4-10;1-2/h10H,2-4H2,1H3,(H,9,11);1-2H3
InChIKeyFBDATLAAQSHYRR-UHFFFAOYSA-N
XLogP1.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-Hydroxypropyl)trifluoroacetamide
CID 1987732
N-(3-hydroxypropyl)acetamide
CID 2781177
Trifluoracetamidopropanol
CID 129757391
N-(1,3-dihydroxypropyl)-2,2,2-trifluoroacetamide
CID 20374862
2,2-difluoro-N-(2-hydroxyethyl)propanamide
CID 26188900
2,2,2-trifluoro-N-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 59089269
2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 59089270
2,2,2-trifluoro-N-(3-hydroxybutyl)acetamide
CID 64459133
2,2,2-trifluoro-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65031818
3,3-difluoro-N-(2-hydroxyethyl)propanamide
CID 88626313
N-(3-fluoro-1-hydroxypropyl)propanamide
CID 88784174
N-(1-fluoro-3-hydroxypropyl)propanamide
CID 88784175

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)propanamide;ethane?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)propanamide;ethane (CID 170583212) is N-(2,2-difluoro-3-hydroxypropyl)propanamide;ethane.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)propanamide;ethane?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)propanamide;ethane is CC.CCC(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)propanamide;ethane?
The InChIKey is FBDATLAAQSHYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2.C2H6/c1-2-5(11)9-3-6(7,8)4-10;1-2/h10H,2-4H2,1H3,(H,9,11);1-2H3.
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)propanamide;ethane?
N-(2,2-difluoro-3-hydroxypropyl)propanamide;ethane has a molecular weight of 197.22 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)propanamide;ethane is sourced from PubChem (CID 170583212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).