3,3,3-trifluoro-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]propanamide

C13H16F3NO2 — CID 94001595

IUPAC3,3,3-trifluoro-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]propanamide
SMILESC[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)CC(F)(F)F)o1
InChIInChI=1S/C13H16F3NO2/c1-8-5-10(8)11-4-3-9(19-11)7-17(2)12(18)6-13(14,15)16/h3-4,8,10H,5-7H2,1-2H3/t8-,10+/m1/s1
InChIKeyKFDQNZRVBCZKMP-SCZZXKLOSA-N
MW275.27 g/mol
LogP3.31
Rot. Bonds4

About 3,3,3-trifluoro-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]propanamide

3,3,3-trifluoro-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]propanamide (PubChem CID 94001595) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]propanamide
PubChem CID94001595
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name3,3,3-trifluoro-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]propanamide
SMILESC[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)CC(F)(F)F)o1
InChIInChI=1S/C13H16F3NO2/c1-8-5-10(8)11-4-3-9(19-11)7-17(2)12(18)6-13(14,15)16/h3-4,8,10H,5-7H2,1-2H3/t8-,10+/m1/s1
InChIKeyKFDQNZRVBCZKMP-SCZZXKLOSA-N
XLogP3.31
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]propanamide with MolForge

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Related Compounds

3,3,3-trifluoro-N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]propanamide
CID 94001598
5-hydroxy-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pentanamide
CID 79191839
N-methyl-N-[2-[methyl-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-2-oxoethyl]benzamide
CID 94150490
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide
CID 17472604
2-amino-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide
CID 54869738
N,2-dimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-4-carboxamide
CID 106739295
4-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
CID 60697653
2-hydroxyethyl N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamate
CID 79345361
N,4-dimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-4-carboxamide
CID 63122159
2-amino-N,4-dimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pentanamide
CID 60939227
2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
CID 60697652
2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]furan-3-carboxamide
CID 106853385

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]propanamide (CID 94001595) is 3,3,3-trifluoro-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]propanamide is C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)CC(F)(F)F)o1.
What is the InChIKey of 3,3,3-trifluoro-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]propanamide?
The InChIKey is KFDQNZRVBCZKMP-SCZZXKLOSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-8-5-10(8)11-4-3-9(19-11)7-17(2)12(18)6-13(14,15)16/h3-4,8,10H,5-7H2,1-2H3/t8-,10+/m1/s1.
What are the key properties of 3,3,3-trifluoro-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]propanamide?
3,3,3-trifluoro-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]propanamide has a molecular weight of 275.27 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]propanamide is sourced from PubChem (CID 94001595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).