N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]propanamide

C6H10F3NO2 — CID 146329216

IUPACN-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]propanamide
SMILESCCC(=O)NC[C@H](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)/t4-/m0/s1
InChIKeyXPCOJCXIZLVIPH-BYPYZUCNSA-N
MW185.14 g/mol
LogP0.44
Rot. Bonds3

About N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]propanamide

N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]propanamide (PubChem CID 146329216) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]propanamide.

Molecular Properties

Compound NameN-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]propanamide
PubChem CID146329216
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC NameN-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]propanamide
SMILESCCC(=O)NC[C@H](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)/t4-/m0/s1
InChIKeyXPCOJCXIZLVIPH-BYPYZUCNSA-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-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]propanamide?
The IUPAC name of N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]propanamide (CID 146329216) is N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]propanamide.
What is the SMILES notation for N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]propanamide?
The canonical SMILES for N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]propanamide is CCC(=O)NC[C@H](O)C(F)(F)F.
What is the InChIKey of N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]propanamide?
The InChIKey is XPCOJCXIZLVIPH-BYPYZUCNSA-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)/t4-/m0/s1.
What are the key properties of N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]propanamide?
N-[(2S)-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-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]propanamide is sourced from PubChem (CID 146329216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).