1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1H-isoindole

C16H14F3NO — CID 65046463

IUPAC1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1H-isoindole
SMILESFC(F)(F)Oc1ccc(CC2NCc3ccccc32)cc1
InChIInChI=1S/C16H14F3NO/c17-16(18,19)21-13-7-5-11(6-8-13)9-15-14-4-2-1-3-12(14)10-20-15/h1-8,15,20H,9-10H2
InChIKeyDRJMREUGBSGMEX-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.97
Rot. Bonds3

About 1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1H-isoindole

1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1H-isoindole (PubChem CID 65046463) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1H-isoindole
PubChem CID65046463
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1H-isoindole
SMILESFC(F)(F)Oc1ccc(CC2NCc3ccccc32)cc1
InChIInChI=1S/C16H14F3NO/c17-16(18,19)21-13-7-5-11(6-8-13)9-15-14-4-2-1-3-12(14)10-20-15/h1-8,15,20H,9-10H2
InChIKeyDRJMREUGBSGMEX-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1H-isoindole 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

1-[[4-(trifluoromethyl)phenoxy]methyl]-2,3-dihydro-1H-isoindole
CID 115104617
1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
CID 91341581
2-(2,3-dihydro-1H-isoindol-1-yl)ethanamine
CID 86111569
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
methyl 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]acetate
CID 86336587
1-(2-propoxyethyl)-2,3-dihydro-1H-isoindole
CID 106458136
trifluoromethoxybenzene
CID 157402708
4-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 106778601
3-bromo-4-[[4-(trifluoromethoxy)phenyl]methyl]thiolane
CID 83189969
1-[(2-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole
CID 115104609
acetic acid;2-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 174644977
1-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole
CID 65046310

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1H-isoindole (CID 65046463) is 1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1H-isoindole is FC(F)(F)Oc1ccc(CC2NCc3ccccc32)cc1.
What is the InChIKey of 1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1H-isoindole?
The InChIKey is DRJMREUGBSGMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c17-16(18,19)21-13-7-5-11(6-8-13)9-15-14-4-2-1-3-12(14)10-20-15/h1-8,15,20H,9-10H2.
What are the key properties of 1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1H-isoindole?
1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1H-isoindole has a molecular weight of 293.29 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 65046463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).