N-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoropropanamide

C8H12F3NO2 — CID 63294604

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NCC(O)C1CC1
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)3-7(14)12-4-6(13)5-1-2-5/h5-6,13H,1-4H2,(H,12,14)
InChIKeyUSJHFKIWLOJJPL-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.83
Rot. Bonds4

About N-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoropropanamide

N-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoropropanamide (PubChem CID 63294604) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoropropanamide
PubChem CID63294604
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NCC(O)C1CC1
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)3-7(14)12-4-6(13)5-1-2-5/h5-6,13H,1-4H2,(H,12,14)
InChIKeyUSJHFKIWLOJJPL-UHFFFAOYSA-N
XLogP0.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoropropanamide (CID 63294604) is N-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoropropanamide is O=C(CC(F)(F)F)NCC(O)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoropropanamide?
The InChIKey is USJHFKIWLOJJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c9-8(10,11)3-7(14)12-4-6(13)5-1-2-5/h5-6,13H,1-4H2,(H,12,14).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoropropanamide?
N-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoropropanamide has a molecular weight of 211.18 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 63294604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).