N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

C6H10F3NO2 — CID 103723361

IUPACN-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESCCC(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-2-5(12)10-3-4(11)6(7,8)9/h4,11H,2-3H2,1H3,(H,10,12)
InChIKeyXPCOJCXIZLVIPH-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.44
Rot. Bonds3

About N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (PubChem CID 103723361) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
PubChem CID103723361
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC NameN-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESCCC(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-2-5(12)10-3-4(11)6(7,8)9/h4,11H,2-3H2,1H3,(H,10,12)
InChIKeyXPCOJCXIZLVIPH-UHFFFAOYSA-N
XLogP0.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxyethyl)lactamide
CID 95457
N-Trifluoroacetyl-2-aminoethanol
CID 95211
Propionylaminoethanol
CID 87536
n-Ethyl-2-hydroxypropanamide
CID 95456
N-(2-Hydroxyethyl)perfluorobutanamide
CID 4613030
2-Hydroxy-n-(2-hydroxypropyl)propanamide
CID 221331
2,2,2-trifluoro-N-[2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 361854
(2S)-N-ethyl-2-hydroxypropanamide
CID 45085116
N-(2,3-dihydroxypropyl)-2,2,2-trifluoroacetamide
CID 23504043
Trifluoracetamidopropanol
CID 129757391
Acetamide, 2,2,2-trifluoro-N-[(1S)-2-hydroxy-1-methylethyl]-
CID 13774518
N-(3-acetylamino-2-hydroxypropyl)acetamide
CID 332254

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (CID 103723361) is N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is CCC(=O)NCC(O)C(F)(F)F.
What is the InChIKey of N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The InChIKey is XPCOJCXIZLVIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-2-5(12)10-3-4(11)6(7,8)9/h4,11H,2-3H2,1H3,(H,10,12).
What are the key properties of N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide has a molecular weight of 185.14 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is sourced from PubChem (CID 103723361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).