N-(3,3-difluoro-2-hydroxypropyl)-2,2,2-trifluoroacetamide

C5H6F5NO2 — CID 103770031

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2,2,2-trifluoroacetamide
SMILESO=C(NCC(O)C(F)F)C(F)(F)F
InChIInChI=1S/C5H6F5NO2/c6-3(7)2(12)1-11-4(13)5(8,9)10/h2-3,12H,1H2,(H,11,13)
InChIKeyDGPIGPUFTRYBGE-UHFFFAOYSA-N
MW207.10 g/mol
LogP0.29
Rot. Bonds3

About N-(3,3-difluoro-2-hydroxypropyl)-2,2,2-trifluoroacetamide

N-(3,3-difluoro-2-hydroxypropyl)-2,2,2-trifluoroacetamide (PubChem CID 103770031) has the molecular formula C5H6F5NO2 and a molecular weight of 207.10 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2,2,2-trifluoroacetamide
PubChem CID103770031
Molecular FormulaC5H6F5NO2
Molecular Weight207.10 g/mol
Exact Mass207.03
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2,2,2-trifluoroacetamide
SMILESO=C(NCC(O)C(F)F)C(F)(F)F
InChIInChI=1S/C5H6F5NO2/c6-3(7)2(12)1-11-4(13)5(8,9)10/h2-3,12H,1H2,(H,11,13)
InChIKeyDGPIGPUFTRYBGE-UHFFFAOYSA-N
XLogP0.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.10
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-Trifluoroacetyl-2-aminoethanol
CID 95211
N-(2-Hydroxyethyl)perfluorobutanamide
CID 4613030
2,2,2-trifluoro-N-[2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 361854
N-(2,3-dihydroxypropyl)-2,2,2-trifluoroacetamide
CID 23504043
(R)-N-(2-Hydroxypropyl)acetamide
CID 13425477
N,N'-(2-hydroxy-1,3-propanediyl)bis(2,2,3,3,3-pentafluoropropanamide)
CID 2851781
(2R)-2-hydroxy-N-(2,2,2-trifluoroethyl)propanamide
CID 10942889
N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoroacetamide;2,2,2-trifluoroacetic acid
CID 23170381
N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoroacetamide
CID 23170382
2,2-difluoro-N-(2-hydroxyethyl)propanamide
CID 26188900
2-hydroxy-N-(2,2,2-trifluoroethyl)acetamide
CID 43558907
2-hydroxy-N-(2,2,2-trifluoroethyl)propanamide
CID 57278446

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2,2,2-trifluoroacetamide (CID 103770031) is N-(3,3-difluoro-2-hydroxypropyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2,2,2-trifluoroacetamide is O=C(NCC(O)C(F)F)C(F)(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2,2,2-trifluoroacetamide?
The InChIKey is DGPIGPUFTRYBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F5NO2/c6-3(7)2(12)1-11-4(13)5(8,9)10/h2-3,12H,1H2,(H,11,13).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2,2,2-trifluoroacetamide?
N-(3,3-difluoro-2-hydroxypropyl)-2,2,2-trifluoroacetamide has a molecular weight of 207.10 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 103770031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).