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

C6H8F5NO2 — CID 103770028

IUPACN-(3,3-difluoro-2-hydroxypropyl)-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NCC(O)C(F)F
InChIInChI=1S/C6H8F5NO2/c7-5(8)3(13)2-12-4(14)1-6(9,10)11/h3,5,13H,1-2H2,(H,12,14)
InChIKeyLJYXKUYNKZCGRF-UHFFFAOYSA-N
MW221.12 g/mol
LogP0.68
Rot. Bonds4

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

N-(3,3-difluoro-2-hydroxypropyl)-3,3,3-trifluoropropanamide (PubChem CID 103770028) has the molecular formula C6H8F5NO2 and a molecular weight of 221.12 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-3,3,3-trifluoropropanamide
PubChem CID103770028
Molecular FormulaC6H8F5NO2
Molecular Weight221.12 g/mol
Exact Mass221.05
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NCC(O)C(F)F
InChIInChI=1S/C6H8F5NO2/c7-5(8)3(13)2-12-4(14)1-6(9,10)11/h3,5,13H,1-2H2,(H,12,14)
InChIKeyLJYXKUYNKZCGRF-UHFFFAOYSA-N
XLogP0.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.12
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-difluoro-2-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 103770032
N-(3,3-difluoro-2-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide
CID 103770162
N-(3-bromo-2-methylpropyl)-3,3,3-trifluoropropanamide
CID 114313479
N-(3,3-difluoro-2-hydroxypropyl)-2-(ethylamino)acetamide
CID 103810605
1-(3,3-difluoro-2-hydroxypropyl)-3-methylurea
CID 103734263
2-(azetidin-3-yl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 103810588
2-(cyclopropylamino)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 103843951
methyl N-(3,3-difluoro-2-hydroxypropyl)carbamate
CID 103769673
1-(3,3-difluoro-2-hydroxypropyl)-3-ethylurea
CID 103734264
3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 103725598
2-(4-bromophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 103769732
2-(1-aminocyclobutyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 103810631

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3,3,3-trifluoropropanamide (CID 103770028) is N-(3,3-difluoro-2-hydroxypropyl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-3,3,3-trifluoropropanamide is O=C(CC(F)(F)F)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-3,3,3-trifluoropropanamide?
The InChIKey is LJYXKUYNKZCGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F5NO2/c7-5(8)3(13)2-12-4(14)1-6(9,10)11/h3,5,13H,1-2H2,(H,12,14).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-3,3,3-trifluoropropanamide?
N-(3,3-difluoro-2-hydroxypropyl)-3,3,3-trifluoropropanamide has a molecular weight of 221.12 g/mol, XLogP of 0.68, 4 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)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 103770028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).