3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide

C8H12F3NO2 — CID 80716737

IUPAC3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
SMILESO=C(CC(F)(F)F)NCC1(CO)CC1
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)3-6(14)12-4-7(5-13)1-2-7/h13H,1-5H2,(H,12,14)
InChIKeyIOCAKYQIRNMXPT-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.83
Rot. Bonds4

About 3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide

3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide (PubChem CID 80716737) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
PubChem CID80716737
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
SMILESO=C(CC(F)(F)F)NCC1(CO)CC1
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)3-6(14)12-4-7(5-13)1-2-7/h13H,1-5H2,(H,12,14)
InChIKeyIOCAKYQIRNMXPT-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 3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide (CID 80716737) is 3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide is O=C(CC(F)(F)F)NCC1(CO)CC1.
What is the InChIKey of 3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
The InChIKey is IOCAKYQIRNMXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c9-8(10,11)3-6(14)12-4-7(5-13)1-2-7/h13H,1-5H2,(H,12,14).
What are the key properties of 3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide 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 3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide is sourced from PubChem (CID 80716737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).