2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole

C16H14F3N — CID 141472105

IUPAC2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole
SMILESFC(F)(F)c1ccc(CN2Cc3ccccc3C2)cc1
InChIInChI=1S/C16H14F3N/c17-16(18,19)15-7-5-12(6-8-15)9-20-10-13-3-1-2-4-14(13)11-20/h1-8H,9-11H2
InChIKeyUUKIRQFFSCKAPV-UHFFFAOYSA-N
MW277.29 g/mol
LogP4.22
Rot. Bonds2

About 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole

2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole (PubChem CID 141472105) has the molecular formula C16H14F3N and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole
PubChem CID141472105
Molecular FormulaC16H14F3N
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC Name2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole
SMILESFC(F)(F)c1ccc(CN2Cc3ccccc3C2)cc1
InChIInChI=1S/C16H14F3N/c17-16(18,19)15-7-5-12(6-8-15)9-20-10-13-3-1-2-4-14(13)11-20/h1-8H,9-11H2
InChIKeyUUKIRQFFSCKAPV-UHFFFAOYSA-N
XLogP4.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-tert-butylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 118072735
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanone
CID 171998605
2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 17459602
1-(2-chloroethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 63386669
6-methylsulfonyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 118922461
(3aS,7aR)-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,7,7a-hexahydroisoindole
CID 57116775
1-[(2-methoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 1351397
1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 763101
1-[(E)-3-phenylprop-2-enyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 1067952
1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 771867
2-[(4-tert-butylphenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370254
2-[[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]methyl]-1,3-benzoxazole
CID 24618098

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole?
The IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole (CID 141472105) is 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole is FC(F)(F)c1ccc(CN2Cc3ccccc3C2)cc1.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole?
The InChIKey is UUKIRQFFSCKAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N/c17-16(18,19)15-7-5-12(6-8-15)9-20-10-13-3-1-2-4-14(13)11-20/h1-8H,9-11H2.
What are the key properties of 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole?
2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole has a molecular weight of 277.29 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole is sourced from PubChem (CID 141472105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).