1-methyl-1,2,2,3,3-pentakis(trifluoromethyl)indene

C15H7F15 — CID 170413980

IUPAC1-methyl-1,2,2,3,3-pentakis(trifluoromethyl)indene
SMILESCC1(C(F)(F)F)c2ccccc2C(C(F)(F)F)(C(F)(F)F)C1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H7F15/c1-8(11(16,17)18)6-4-2-3-5-7(6)9(12(19,20)21,13(22,23)24)10(8,14(25,26)27)15(28,29)30/h2-5H,1H3
InChIKeyUTUKOKOZVUEBIA-UHFFFAOYSA-N
MW472.19 g/mol
LogP6.99
Rot. Bonds

About 1-methyl-1,2,2,3,3-pentakis(trifluoromethyl)indene

1-methyl-1,2,2,3,3-pentakis(trifluoromethyl)indene (PubChem CID 170413980) has the molecular formula C15H7F15 and a molecular weight of 472.19 g/mol. Its IUPAC name is 1-methyl-1,2,2,3,3-pentakis(trifluoromethyl)indene.

Molecular Properties

Compound Name1-methyl-1,2,2,3,3-pentakis(trifluoromethyl)indene
PubChem CID170413980
Molecular FormulaC15H7F15
Molecular Weight472.19 g/mol
Exact Mass472.03
IUPAC Name1-methyl-1,2,2,3,3-pentakis(trifluoromethyl)indene
SMILESCC1(C(F)(F)F)c2ccccc2C(C(F)(F)F)(C(F)(F)F)C1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H7F15/c1-8(11(16,17)18)6-4-2-3-5-7(6)9(12(19,20)21,13(22,23)24)10(8,14(25,26)27)15(28,29)30/h2-5H,1H3
InChIKeyUTUKOKOZVUEBIA-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.19
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 125495959
(1R)-1-methyl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline
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CID 146609415
2-(9,9-dimethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluorene
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1,1,3,3-tetramethyl-2H-isoindole
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,2,2,3,3-pentakis(trifluoromethyl)indene?
The IUPAC name of 1-methyl-1,2,2,3,3-pentakis(trifluoromethyl)indene (CID 170413980) is 1-methyl-1,2,2,3,3-pentakis(trifluoromethyl)indene.
What is the SMILES notation for 1-methyl-1,2,2,3,3-pentakis(trifluoromethyl)indene?
The canonical SMILES for 1-methyl-1,2,2,3,3-pentakis(trifluoromethyl)indene is CC1(C(F)(F)F)c2ccccc2C(C(F)(F)F)(C(F)(F)F)C1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-methyl-1,2,2,3,3-pentakis(trifluoromethyl)indene?
The InChIKey is UTUKOKOZVUEBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F15/c1-8(11(16,17)18)6-4-2-3-5-7(6)9(12(19,20)21,13(22,23)24)10(8,14(25,26)27)15(28,29)30/h2-5H,1H3.
What are the key properties of 1-methyl-1,2,2,3,3-pentakis(trifluoromethyl)indene?
1-methyl-1,2,2,3,3-pentakis(trifluoromethyl)indene has a molecular weight of 472.19 g/mol, XLogP of 6.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,2,2,3,3-pentakis(trifluoromethyl)indene is sourced from PubChem (CID 170413980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).