(1-decylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone

C26H30F3NO — CID 170857208

IUPAC(1-decylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESCCCCCCCCCCn1cc(C(=O)c2ccccc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C26H30F3NO/c1-2-3-4-5-6-7-8-13-18-30-19-22(20-14-10-12-17-24(20)30)25(31)21-15-9-11-16-23(21)26(27,28)29/h9-12,14-17,19H,2-8,13,18H2,1H3
InChIKeyJNUMSLMCOJJFRN-UHFFFAOYSA-N
MW429.53 g/mol
LogP8.03
Rot. Bonds11

About (1-decylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone

(1-decylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 170857208) has the molecular formula C26H30F3NO and a molecular weight of 429.53 g/mol. Its IUPAC name is (1-decylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(1-decylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID170857208
Molecular FormulaC26H30F3NO
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name(1-decylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESCCCCCCCCCCn1cc(C(=O)c2ccccc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C26H30F3NO/c1-2-3-4-5-6-7-8-13-18-30-19-22(20-14-10-12-17-24(20)30)25(31)21-15-9-11-16-23(21)26(27,28)29/h9-12,14-17,19H,2-8,13,18H2,1H3
InChIKeyJNUMSLMCOJJFRN-UHFFFAOYSA-N
XLogP8.03
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.53
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-butylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 170857137
(1-methylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 170857099
(8-iodonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 71454234
(1-decylindol-3-yl)-(4-iodophenyl)methanone
CID 170857204
(8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 71463154
(4-methylphenyl)-(1-pentylindol-3-yl)methanone
CID 170857148
[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 170857353
2-(1-dodecylindol-3-yl)-2-oxoacetamide
CID 174644392
(4-ethoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 45267043
(1-butylindol-3-yl)-naphthalen-1-ylmethanone;(4-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone
CID 159355298
4-(3-tridecanoylindol-1-yl)butanoic acid
CID 22400493
6-bromo-1-(1-butylindol-3-yl)hexan-1-one
CID 54167344

Frequently Asked Questions

What is the IUPAC name of (1-decylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (1-decylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone (CID 170857208) is (1-decylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (1-decylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (1-decylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone is CCCCCCCCCCn1cc(C(=O)c2ccccc2C(F)(F)F)c2ccccc21.
What is the InChIKey of (1-decylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is JNUMSLMCOJJFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3NO/c1-2-3-4-5-6-7-8-13-18-30-19-22(20-14-10-12-17-24(20)30)25(31)21-15-9-11-16-23(21)26(27,28)29/h9-12,14-17,19H,2-8,13,18H2,1H3.
What are the key properties of (1-decylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone?
(1-decylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 429.53 g/mol, XLogP of 8.03, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-decylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 170857208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).