4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindol-1-ol

C15H12F3NO — CID 176571999

IUPAC4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindol-1-ol
SMILESOC1NCc2c(-c3ccc(C(F)(F)F)cc3)cccc21
InChIInChI=1S/C15H12F3NO/c16-15(17,18)10-6-4-9(5-7-10)11-2-1-3-12-13(11)8-19-14(12)20/h1-7,14,19-20H,8H2
InChIKeyMTGWXKRCABVXCZ-UHFFFAOYSA-N
MW279.26 g/mol
LogP3.47
Rot. Bonds1

About 4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindol-1-ol

4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindol-1-ol (PubChem CID 176571999) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindol-1-ol.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindol-1-ol
PubChem CID176571999
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindol-1-ol
SMILESOC1NCc2c(-c3ccc(C(F)(F)F)cc3)cccc21
InChIInChI=1S/C15H12F3NO/c16-15(17,18)10-6-4-9(5-7-10)11-2-1-3-12-13(11)8-19-14(12)20/h1-7,14,19-20H,8H2
InChIKeyMTGWXKRCABVXCZ-UHFFFAOYSA-N
XLogP3.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[(1S)-5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 171496662
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CID 11230142
7-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-ol
CID 163771632
2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran
CID 151016098
7-[4-(trifluoromethyl)phenyl]-2,3-dihydroisoindol-1-one
CID 15315314
9-[4-[4-(trifluoromethyl)phenyl]phenyl]-9H-fluorene
CID 162621152
1-fluoro-2-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]benzene
CID 119018049
[2-[4-(trifluoromethyl)phenyl]phenyl]phosphane
CID 138671682
2-fluoro-3-[4-(trifluoromethyl)phenyl]aniline
CID 134624111
[2-[4-(trifluoromethyl)phenyl]phenyl]iodanium tetrafluoroborate
CID 87834390
N-(1-acetyl-2,3-dihydro-1H-isoindol-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 139944299
1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-isoindole
CID 65046308

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindol-1-ol?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindol-1-ol (CID 176571999) is 4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindol-1-ol.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindol-1-ol?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindol-1-ol is OC1NCc2c(-c3ccc(C(F)(F)F)cc3)cccc21.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindol-1-ol?
The InChIKey is MTGWXKRCABVXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c16-15(17,18)10-6-4-9(5-7-10)11-2-1-3-12-13(11)8-19-14(12)20/h1-7,14,19-20H,8H2.
What are the key properties of 4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindol-1-ol?
4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindol-1-ol has a molecular weight of 279.26 g/mol, XLogP of 3.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindol-1-ol is sourced from PubChem (CID 176571999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).