1-[4-(azetidin-3-yl)phenyl]-3-(trifluoromethyl)pyrrolidine

C14H17F3N2 — CID 162746143

IUPAC1-[4-(azetidin-3-yl)phenyl]-3-(trifluoromethyl)pyrrolidine
SMILESFC(F)(F)C1CCN(c2ccc(C3CNC3)cc2)C1
InChIInChI=1S/C14H17F3N2/c15-14(16,17)12-5-6-19(9-12)13-3-1-10(2-4-13)11-7-18-8-11/h1-4,11-12,18H,5-9H2
InChIKeyUPNDIKZMBKYHIB-UHFFFAOYSA-N
MW270.30 g/mol
LogP2.76
Rot. Bonds2

About 1-[4-(azetidin-3-yl)phenyl]-3-(trifluoromethyl)pyrrolidine

1-[4-(azetidin-3-yl)phenyl]-3-(trifluoromethyl)pyrrolidine (PubChem CID 162746143) has the molecular formula C14H17F3N2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-[4-(azetidin-3-yl)phenyl]-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name1-[4-(azetidin-3-yl)phenyl]-3-(trifluoromethyl)pyrrolidine
PubChem CID162746143
Molecular FormulaC14H17F3N2
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name1-[4-(azetidin-3-yl)phenyl]-3-(trifluoromethyl)pyrrolidine
SMILESFC(F)(F)C1CCN(c2ccc(C3CNC3)cc2)C1
InChIInChI=1S/C14H17F3N2/c15-14(16,17)12-5-6-19(9-12)13-3-1-10(2-4-13)11-7-18-8-11/h1-4,11-12,18H,5-9H2
InChIKeyUPNDIKZMBKYHIB-UHFFFAOYSA-N
XLogP2.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-[4-(azetidin-3-yl)phenyl]-3-(trifluoromethyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(azetidin-3-yl)-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine
CID 162745525
4-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]aniline
CID 129320764
4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]aniline
CID 97044380
3-[4-[cyclopropyl(difluoro)methyl]phenyl]azetidine
CID 116992338
1-(4-ethylphenyl)-6-(trifluoromethyl)-1,4-diazepane
CID 103371881
1-[4-[(3R)-pyrrolidin-3-yl]phenyl]pyrrolidine
CID 96781240
N-[[2-fluoro-4-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]methyl]cyclopropanecarboxamide
CID 122697279
3-(4-fluorophenyl)azetidine
CID 55250938
1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine
CID 118968940
3-[4-(azetidin-3-yl)phenyl]-1-(trifluoromethyl)cyclobutan-1-ol
CID 169104677
N-phenyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline
CID 166061952
1-[4-(azetidin-3-yl)phenyl]-3-(2,2,2-trifluoroethoxy)azetidine;4-methylbenzenesulfonic acid
CID 172762827

Frequently Asked Questions

What is the IUPAC name of 1-[4-(azetidin-3-yl)phenyl]-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of 1-[4-(azetidin-3-yl)phenyl]-3-(trifluoromethyl)pyrrolidine (CID 162746143) is 1-[4-(azetidin-3-yl)phenyl]-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 1-[4-(azetidin-3-yl)phenyl]-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 1-[4-(azetidin-3-yl)phenyl]-3-(trifluoromethyl)pyrrolidine is FC(F)(F)C1CCN(c2ccc(C3CNC3)cc2)C1.
What is the InChIKey of 1-[4-(azetidin-3-yl)phenyl]-3-(trifluoromethyl)pyrrolidine?
The InChIKey is UPNDIKZMBKYHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2/c15-14(16,17)12-5-6-19(9-12)13-3-1-10(2-4-13)11-7-18-8-11/h1-4,11-12,18H,5-9H2.
What are the key properties of 1-[4-(azetidin-3-yl)phenyl]-3-(trifluoromethyl)pyrrolidine?
1-[4-(azetidin-3-yl)phenyl]-3-(trifluoromethyl)pyrrolidine has a molecular weight of 270.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(azetidin-3-yl)phenyl]-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 162746143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).