2-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-ol

C13H15F3O — CID 113327265

IUPAC2-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-ol
SMILESOC1c2ccccc2CC1CCCC(F)(F)F
InChIInChI=1S/C13H15F3O/c14-13(15,16)7-3-5-10-8-9-4-1-2-6-11(9)12(10)17/h1-2,4,6,10,12,17H,3,5,7-8H2
InChIKeyPRKHFOLOOYBVGQ-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.62
Rot. Bonds3

About 2-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-ol

2-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 113327265) has the molecular formula C13H15F3O and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name2-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID113327265
Molecular FormulaC13H15F3O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name2-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-ol
SMILESOC1c2ccccc2CC1CCCC(F)(F)F
InChIInChI=1S/C13H15F3O/c14-13(15,16)7-3-5-10-8-9-4-1-2-6-11(9)12(10)17/h1-2,4,6,10,12,17H,3,5,7-8H2
InChIKeyPRKHFOLOOYBVGQ-UHFFFAOYSA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-phenylsulfanylethyl)-2,3-dihydro-1H-inden-1-ol
CID 79227500
2-chloro-N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-amine
CID 115518416
(1S)-2,3-dihydro-1H-indene-1,2-diol
CID 68820122
(1R,2R,3R)-2-bromo-3-(bromomethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 102321992
6-(3-fluoropropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 81114397
2-(2-ethylbutyl)-2,3-dihydro-1H-inden-1-ol
CID 82930706
(2R)-2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-ol
CID 58393646
2-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 10856608
(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-ol;hydrochloride
CID 71776086
2-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-1-ol
CID 55050055
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4,4,4-trifluorobutyl]hydrazine
CID 105224607
2-hexyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 63460691

Frequently Asked Questions

What is the IUPAC name of 2-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 2-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-ol (CID 113327265) is 2-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 2-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 2-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-ol is OC1c2ccccc2CC1CCCC(F)(F)F.
What is the InChIKey of 2-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is PRKHFOLOOYBVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O/c14-13(15,16)7-3-5-10-8-9-4-1-2-6-11(9)12(10)17/h1-2,4,6,10,12,17H,3,5,7-8H2.
What are the key properties of 2-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-ol?
2-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 244.26 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 113327265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).