pyrrolidin-1-yl-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone

C14H16F3NO2 — CID 15996009

IUPACpyrrolidin-1-yl-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone
SMILESO=C(c1ccc(COCC(F)(F)F)cc1)N1CCCC1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)10-20-9-11-3-5-12(6-4-11)13(19)18-7-1-2-8-18/h3-6H,1-2,7-10H2
InChIKeyGCNMLBCVUUOLAO-UHFFFAOYSA-N
MW287.28 g/mol
LogP3.00
Rot. Bonds4

About pyrrolidin-1-yl-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone

pyrrolidin-1-yl-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone (PubChem CID 15996009) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is pyrrolidin-1-yl-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone
PubChem CID15996009
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Namepyrrolidin-1-yl-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone
SMILESO=C(c1ccc(COCC(F)(F)F)cc1)N1CCCC1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)10-20-9-11-3-5-12(6-4-11)13(19)18-7-1-2-8-18/h3-6H,1-2,7-10H2
InChIKeyGCNMLBCVUUOLAO-UHFFFAOYSA-N
XLogP3.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[4-(Propan-2-yloxymethyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 9118332
Pyrrolidin-1-yl-[4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)phenyl]methanone
CID 10132088
Methyl 4-(pyrrolidin-1-ylmethyl)benzoate
CID 756589
N-isopropyl-4-[(2,2,2-trifluoroethoxy)methyl]benzamide
CID 891620
4-[(2,2,3,3-tetrafluoropropoxy)methyl]-N-(tetrahydro-2-furanylmethyl)benzamide
CID 2941650
4-[4-(2-Oxazolin-2-yl)benzylidene]-1-(4-trifluoromethylbenzoyl)piperidine
CID 15231386
Ethyl 4-(pyrrolidine-1-carbothioyl)benzoate
CID 2801573
ethyl 4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzenecarboxylate
CID 5260631
N-isopropyl-4-[(2,2,3,3-tetrafluoropropoxy)methyl]benzamide
CID 842473
N-propyl-3-[(2,2,2-trifluoroethoxy)methyl]benzamide
CID 5150902
2-[4-[4-(Methoxymethyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 9117233
Phenyl(2-phenyl-1,3-oxazinan-3-yl)methanone
CID 653321

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone?
The IUPAC name of pyrrolidin-1-yl-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone (CID 15996009) is pyrrolidin-1-yl-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone is O=C(c1ccc(COCC(F)(F)F)cc1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone?
The InChIKey is GCNMLBCVUUOLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-14(16,17)10-20-9-11-3-5-12(6-4-11)13(19)18-7-1-2-8-18/h3-6H,1-2,7-10H2.
What are the key properties of pyrrolidin-1-yl-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone?
pyrrolidin-1-yl-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone has a molecular weight of 287.28 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone is sourced from PubChem (CID 15996009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).