6-(chloromethyl)-5-fluoro-3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,2-dihydroindene

C19H17ClF4 — CID 118526276

IUPAC6-(chloromethyl)-5-fluoro-3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,2-dihydroindene
SMILESCC1(C)CC(c2ccccc2C(F)(F)F)c2cc(CCl)c(F)cc21
InChIInChI=1S/C19H17ClF4/c1-18(2)9-14(12-5-3-4-6-15(12)19(22,23)24)13-7-11(10-20)17(21)8-16(13)18/h3-8,14H,9-10H2,1-2H3
InChIKeyBANGOCFPIOCSSX-UHFFFAOYSA-N
MW356.79 g/mol
LogP6.40
Rot. Bonds2

About 6-(chloromethyl)-5-fluoro-3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,2-dihydroindene

6-(chloromethyl)-5-fluoro-3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,2-dihydroindene (PubChem CID 118526276) has the molecular formula C19H17ClF4 and a molecular weight of 356.79 g/mol. Its IUPAC name is 6-(chloromethyl)-5-fluoro-3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,2-dihydroindene.

Molecular Properties

Compound Name6-(chloromethyl)-5-fluoro-3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,2-dihydroindene
PubChem CID118526276
Molecular FormulaC19H17ClF4
Molecular Weight356.79 g/mol
Exact Mass356.10
IUPAC Name6-(chloromethyl)-5-fluoro-3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,2-dihydroindene
SMILESCC1(C)CC(c2ccccc2C(F)(F)F)c2cc(CCl)c(F)cc21
InChIInChI=1S/C19H17ClF4/c1-18(2)9-14(12-5-3-4-6-15(12)19(22,23)24)13-7-11(10-20)17(21)8-16(13)18/h3-8,14H,9-10H2,1-2H3
InChIKeyBANGOCFPIOCSSX-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.79
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[[6-fluoro-1,1-dimethyl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 144962371
[1,1,6-trifluoro-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methanol
CID 118526363
5-(chloromethyl)-6-fluoro-3-[2-(trifluoromethyl)phenyl]-3H-2-benzofuran-1-one
CID 118526445
[3-[2-(trifluoromethyl)phenyl]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-yl]methanol
CID 118525850
[2,2-dimethyl-3'-[2-(trifluoromethyl)phenyl]spiro[1,3-dioxane-5,1'-2,3-dihydroindene]-5'-yl]methyl methanesulfonate
CID 118526349
methyl 3-[2-(trifluoromethyl)phenyl]spiro[2,3-dihydroindene-1,1'-cyclobutane]-5-carboxylate
CID 118526342
[6-fluoro-1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-7-yl]methanol
CID 118526465
ethyl (2S,3S,4R)-8-[[6-fluoro-1,1-dimethyl-3-(2-methylphenyl)-2,3-dihydroinden-5-yl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene-3-carboxylate
CID 126705211
5-(bromomethyl)-1-methyl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene
CID 118526379
(4R)-2,2-dimethyl-4-[2-(trifluoromethyl)phenyl]oxane
CID 67814317
4-chloro-2-(chloromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 118816855
2,2-diethyl-3-[2-(trifluoromethyl)phenyl]cyclobutan-1-one
CID 81415107

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-5-fluoro-3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,2-dihydroindene?
The IUPAC name of 6-(chloromethyl)-5-fluoro-3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,2-dihydroindene (CID 118526276) is 6-(chloromethyl)-5-fluoro-3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,2-dihydroindene.
What is the SMILES notation for 6-(chloromethyl)-5-fluoro-3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,2-dihydroindene?
The canonical SMILES for 6-(chloromethyl)-5-fluoro-3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,2-dihydroindene is CC1(C)CC(c2ccccc2C(F)(F)F)c2cc(CCl)c(F)cc21.
What is the InChIKey of 6-(chloromethyl)-5-fluoro-3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,2-dihydroindene?
The InChIKey is BANGOCFPIOCSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF4/c1-18(2)9-14(12-5-3-4-6-15(12)19(22,23)24)13-7-11(10-20)17(21)8-16(13)18/h3-8,14H,9-10H2,1-2H3.
What are the key properties of 6-(chloromethyl)-5-fluoro-3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,2-dihydroindene?
6-(chloromethyl)-5-fluoro-3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,2-dihydroindene has a molecular weight of 356.79 g/mol, XLogP of 6.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-5-fluoro-3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,2-dihydroindene is sourced from PubChem (CID 118526276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).