7-bromo-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole

C9H7BrF3N — CID 82379827

IUPAC7-bromo-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole
SMILESFC(F)(F)C1NCc2cccc(Br)c21
InChIInChI=1S/C9H7BrF3N/c10-6-3-1-2-5-4-14-8(7(5)6)9(11,12)13/h1-3,8,14H,4H2
InChIKeyNACYQNHMPQIZLH-UHFFFAOYSA-N
MW266.06 g/mol
LogP3.16
Rot. Bonds

About 7-bromo-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole

7-bromo-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole (PubChem CID 82379827) has the molecular formula C9H7BrF3N and a molecular weight of 266.06 g/mol. Its IUPAC name is 7-bromo-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name7-bromo-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole
PubChem CID82379827
Molecular FormulaC9H7BrF3N
Molecular Weight266.06 g/mol
Exact Mass264.97
IUPAC Name7-bromo-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole
SMILESFC(F)(F)C1NCc2cccc(Br)c21
InChIInChI=1S/C9H7BrF3N/c10-6-3-1-2-5-4-14-8(7(5)6)9(11,12)13/h1-3,8,14H,4H2
InChIKeyNACYQNHMPQIZLH-UHFFFAOYSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.06
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-bromo-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 130040965
8-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 66875826
(1R)-6-fluoro-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole
CID 130658449
(5-bromo-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanamine
CID 105465700
5-fluoro-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 84684340
(1R)-1-tert-butyl-2,3-dihydro-1H-isoindole
CID 139332278
5-chloro-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 84699061
(2R)-2-(2-bromo-6-fluorophenyl)azetidine;hydrochloride
CID 171197230
N-(2,6-dibromophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 107599706
(1S)-7-bromo-2,3-dihydro-1H-inden-1-ol
CID 129246818
(1S)-1-fluoro-2,3-dihydro-1H-isoindole
CID 97110854
3-(2,3-dihydro-1H-isoindol-1-yl)pentan-3-ol
CID 65041986

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole?
The IUPAC name of 7-bromo-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole (CID 82379827) is 7-bromo-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 7-bromo-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole?
The canonical SMILES for 7-bromo-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole is FC(F)(F)C1NCc2cccc(Br)c21.
What is the InChIKey of 7-bromo-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole?
The InChIKey is NACYQNHMPQIZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF3N/c10-6-3-1-2-5-4-14-8(7(5)6)9(11,12)13/h1-3,8,14H,4H2.
What are the key properties of 7-bromo-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole?
7-bromo-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole has a molecular weight of 266.06 g/mol, XLogP of 3.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 82379827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).