(2,2,3,3-tetramethylcyclopropyl)-[1-(4,4,4-trifluorobutyl)indol-3-yl]methanone

C20H24F3NO — CID 11559386

IUPAC(2,2,3,3-tetramethylcyclopropyl)-[1-(4,4,4-trifluorobutyl)indol-3-yl]methanone
SMILESCC1(C)C(C(=O)c2cn(CCCC(F)(F)F)c3ccccc23)C1(C)C
InChIInChI=1S/C20H24F3NO/c1-18(2)17(19(18,3)4)16(25)14-12-24(11-7-10-20(21,22)23)15-9-6-5-8-13(14)15/h5-6,8-9,12,17H,7,10-11H2,1-4H3
InChIKeyPEXYKZYTXIEEOB-UHFFFAOYSA-N
MW351.41 g/mol
LogP5.85
Rot. Bonds5

About (2,2,3,3-tetramethylcyclopropyl)-[1-(4,4,4-trifluorobutyl)indol-3-yl]methanone

(2,2,3,3-tetramethylcyclopropyl)-[1-(4,4,4-trifluorobutyl)indol-3-yl]methanone (PubChem CID 11559386) has the molecular formula C20H24F3NO and a molecular weight of 351.41 g/mol. Its IUPAC name is (2,2,3,3-tetramethylcyclopropyl)-[1-(4,4,4-trifluorobutyl)indol-3-yl]methanone.

Molecular Properties

Compound Name(2,2,3,3-tetramethylcyclopropyl)-[1-(4,4,4-trifluorobutyl)indol-3-yl]methanone
PubChem CID11559386
Molecular FormulaC20H24F3NO
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name(2,2,3,3-tetramethylcyclopropyl)-[1-(4,4,4-trifluorobutyl)indol-3-yl]methanone
SMILESCC1(C)C(C(=O)c2cn(CCCC(F)(F)F)c3ccccc23)C1(C)C
InChIInChI=1S/C20H24F3NO/c1-18(2)17(19(18,3)4)16(25)14-12-24(11-7-10-20(21,22)23)15-9-6-5-8-13(14)15/h5-6,8-9,12,17H,7,10-11H2,1-4H3
InChIKeyPEXYKZYTXIEEOB-UHFFFAOYSA-N
XLogP5.85
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2,3,3-tetramethylcyclopropyl)-[1-(4,4,4-trifluorobutyl)indol-3-yl]methanone?
The IUPAC name of (2,2,3,3-tetramethylcyclopropyl)-[1-(4,4,4-trifluorobutyl)indol-3-yl]methanone (CID 11559386) is (2,2,3,3-tetramethylcyclopropyl)-[1-(4,4,4-trifluorobutyl)indol-3-yl]methanone.
What is the SMILES notation for (2,2,3,3-tetramethylcyclopropyl)-[1-(4,4,4-trifluorobutyl)indol-3-yl]methanone?
The canonical SMILES for (2,2,3,3-tetramethylcyclopropyl)-[1-(4,4,4-trifluorobutyl)indol-3-yl]methanone is CC1(C)C(C(=O)c2cn(CCCC(F)(F)F)c3ccccc23)C1(C)C.
What is the InChIKey of (2,2,3,3-tetramethylcyclopropyl)-[1-(4,4,4-trifluorobutyl)indol-3-yl]methanone?
The InChIKey is PEXYKZYTXIEEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3NO/c1-18(2)17(19(18,3)4)16(25)14-12-24(11-7-10-20(21,22)23)15-9-6-5-8-13(14)15/h5-6,8-9,12,17H,7,10-11H2,1-4H3.
What are the key properties of (2,2,3,3-tetramethylcyclopropyl)-[1-(4,4,4-trifluorobutyl)indol-3-yl]methanone?
(2,2,3,3-tetramethylcyclopropyl)-[1-(4,4,4-trifluorobutyl)indol-3-yl]methanone has a molecular weight of 351.41 g/mol, XLogP of 5.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,3,3-tetramethylcyclopropyl)-[1-(4,4,4-trifluorobutyl)indol-3-yl]methanone is sourced from PubChem (CID 11559386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).