2-benzyl-5-fluoro-1,3-dihydroisoindole;hydrochloride

C15H15ClFN — CID 162343848

IUPAC2-benzyl-5-fluoro-1,3-dihydroisoindole;hydrochloride
SMILESCl.Fc1ccc2c(c1)CN(Cc1ccccc1)C2
InChIInChI=1S/C15H14FN.ClH/c16-15-7-6-13-10-17(11-14(13)8-15)9-12-4-2-1-3-5-12;/h1-8H,9-11H2;1H
InChIKeyYBVPFNSDTKTIJM-UHFFFAOYSA-N
MW263.74 g/mol
LogP3.76
Rot. Bonds2

About 2-benzyl-5-fluoro-1,3-dihydroisoindole;hydrochloride

2-benzyl-5-fluoro-1,3-dihydroisoindole;hydrochloride (PubChem CID 162343848) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is 2-benzyl-5-fluoro-1,3-dihydroisoindole;hydrochloride.

Molecular Properties

Compound Name2-benzyl-5-fluoro-1,3-dihydroisoindole;hydrochloride
PubChem CID162343848
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC Name2-benzyl-5-fluoro-1,3-dihydroisoindole;hydrochloride
SMILESCl.Fc1ccc2c(c1)CN(Cc1ccccc1)C2
InChIInChI=1S/C15H14FN.ClH/c16-15-7-6-13-10-17(11-14(13)8-15)9-12-4-2-1-3-5-12;/h1-8H,9-11H2;1H
InChIKeyYBVPFNSDTKTIJM-UHFFFAOYSA-N
XLogP3.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-2-[(4-methylphenyl)methyl]-1,3-dihydroisoindole
CID 91561495
2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole
CID 171397259
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
(3S)-2-benzyl-7-fluoro-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 51440862
N-(2-benzyl-1,3-dihydroisoindol-5-yl)formamide
CID 168652594
N-(2-benzyl-1,3-dihydroisoindol-5-yl)acetamide
CID 15167888
2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 3353508
2-benzyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
CID 23298431
1-benzyl-4-(2,4-difluorophenyl)piperazine
CID 110454865
2-benzyl-6-chloro-1,3-dihydropyrrolo[3,4-c]pyridine
CID 154963782
2-(1,3-dihydroisoindol-2-ylmethyl)-5-fluoroaniline
CID 64769584
1-benzyl-4-(2,5-difluorophenyl)piperidin-4-amine
CID 164862876

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-fluoro-1,3-dihydroisoindole;hydrochloride?
The IUPAC name of 2-benzyl-5-fluoro-1,3-dihydroisoindole;hydrochloride (CID 162343848) is 2-benzyl-5-fluoro-1,3-dihydroisoindole;hydrochloride.
What is the SMILES notation for 2-benzyl-5-fluoro-1,3-dihydroisoindole;hydrochloride?
The canonical SMILES for 2-benzyl-5-fluoro-1,3-dihydroisoindole;hydrochloride is Cl.Fc1ccc2c(c1)CN(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-5-fluoro-1,3-dihydroisoindole;hydrochloride?
The InChIKey is YBVPFNSDTKTIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN.ClH/c16-15-7-6-13-10-17(11-14(13)8-15)9-12-4-2-1-3-5-12;/h1-8H,9-11H2;1H.
What are the key properties of 2-benzyl-5-fluoro-1,3-dihydroisoindole;hydrochloride?
2-benzyl-5-fluoro-1,3-dihydroisoindole;hydrochloride has a molecular weight of 263.74 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-fluoro-1,3-dihydroisoindole;hydrochloride is sourced from PubChem (CID 162343848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).