[3-[2-(trifluoromethyl)phenyl]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-yl]methanol

C19H17F3O — CID 118525850

IUPAC[3-[2-(trifluoromethyl)phenyl]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-yl]methanol
SMILESOCc1ccc2c(c1)C(c1ccccc1C(F)(F)F)CC21CC1
InChIInChI=1S/C19H17F3O/c20-19(21,22)17-4-2-1-3-13(17)15-10-18(7-8-18)16-6-5-12(11-23)9-14(15)16/h1-6,9,15,23H,7-8,10-11H2
InChIKeyGPTJHUWNALGZFE-UHFFFAOYSA-N
MW318.34 g/mol
LogP4.76
Rot. Bonds2

About [3-[2-(trifluoromethyl)phenyl]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-yl]methanol

[3-[2-(trifluoromethyl)phenyl]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-yl]methanol (PubChem CID 118525850) has the molecular formula C19H17F3O and a molecular weight of 318.34 g/mol. Its IUPAC name is [3-[2-(trifluoromethyl)phenyl]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-yl]methanol.

Molecular Properties

Compound Name[3-[2-(trifluoromethyl)phenyl]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-yl]methanol
PubChem CID118525850
Molecular FormulaC19H17F3O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name[3-[2-(trifluoromethyl)phenyl]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-yl]methanol
SMILESOCc1ccc2c(c1)C(c1ccccc1C(F)(F)F)CC21CC1
InChIInChI=1S/C19H17F3O/c20-19(21,22)17-4-2-1-3-13(17)15-10-18(7-8-18)16-6-5-12(11-23)9-14(15)16/h1-6,9,15,23H,7-8,10-11H2
InChIKeyGPTJHUWNALGZFE-UHFFFAOYSA-N
XLogP4.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 3-[2-(trifluoromethyl)phenyl]spiro[2,3-dihydroindene-1,1'-cyclobutane]-5-carboxylate
CID 118526342
8-[[3-[2-(trifluoromethyl)phenyl]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-yl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene-3-carboxylic acid
CID 118526699
[1,1,6-trifluoro-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methanol
CID 118526363
[2,2-dimethyl-3'-[2-(trifluoromethyl)phenyl]spiro[1,3-dioxane-5,1'-2,3-dihydroindene]-5'-yl]methyl methanesulfonate
CID 118526349
5-(bromomethyl)-1-methyl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene
CID 118526379
6-(chloromethyl)-5-fluoro-3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,2-dihydroindene
CID 118526276
cis-(1S,2S)-1-amino-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 95002534
[4-(1,4-dioxaspiro[4.5]decan-8-yl)-3-(trifluoromethyl)phenyl]methanol
CID 57048368
[6-[2-(trifluoromethyl)phenyl]naphthalen-2-yl]methanol
CID 172868767
7-(bromomethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 118525837
[5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol
CID 22184767
(2R)-2-[2-(trifluoromethyl)phenyl]cycloheptan-1-one
CID 94603909

Frequently Asked Questions

What is the IUPAC name of [3-[2-(trifluoromethyl)phenyl]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-yl]methanol?
The IUPAC name of [3-[2-(trifluoromethyl)phenyl]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-yl]methanol (CID 118525850) is [3-[2-(trifluoromethyl)phenyl]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-yl]methanol.
What is the SMILES notation for [3-[2-(trifluoromethyl)phenyl]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-yl]methanol?
The canonical SMILES for [3-[2-(trifluoromethyl)phenyl]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-yl]methanol is OCc1ccc2c(c1)C(c1ccccc1C(F)(F)F)CC21CC1.
What is the InChIKey of [3-[2-(trifluoromethyl)phenyl]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-yl]methanol?
The InChIKey is GPTJHUWNALGZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3O/c20-19(21,22)17-4-2-1-3-13(17)15-10-18(7-8-18)16-6-5-12(11-23)9-14(15)16/h1-6,9,15,23H,7-8,10-11H2.
What are the key properties of [3-[2-(trifluoromethyl)phenyl]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-yl]methanol?
[3-[2-(trifluoromethyl)phenyl]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-yl]methanol has a molecular weight of 318.34 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(trifluoromethyl)phenyl]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-yl]methanol is sourced from PubChem (CID 118525850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).