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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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).