7-chloro-1-[3-(2,2,2-trifluoroethoxy)propyl]indole

C13H13ClF3NO — CID 103474848

IUPAC7-chloro-1-[3-(2,2,2-trifluoroethoxy)propyl]indole
SMILESFC(F)(F)COCCCn1ccc2cccc(Cl)c21
InChIInChI=1S/C13H13ClF3NO/c14-11-4-1-3-10-5-7-18(12(10)11)6-2-8-19-9-13(15,16)17/h1,3-5,7H,2,6,8-9H2
InChIKeyAPHWIVGUDOHSBZ-UHFFFAOYSA-N
MW291.70 g/mol
LogP4.26
Rot. Bonds5

About 7-chloro-1-[3-(2,2,2-trifluoroethoxy)propyl]indole

7-chloro-1-[3-(2,2,2-trifluoroethoxy)propyl]indole (PubChem CID 103474848) has the molecular formula C13H13ClF3NO and a molecular weight of 291.70 g/mol. Its IUPAC name is 7-chloro-1-[3-(2,2,2-trifluoroethoxy)propyl]indole.

Molecular Properties

Compound Name7-chloro-1-[3-(2,2,2-trifluoroethoxy)propyl]indole
PubChem CID103474848
Molecular FormulaC13H13ClF3NO
Molecular Weight291.70 g/mol
Exact Mass291.06
IUPAC Name7-chloro-1-[3-(2,2,2-trifluoroethoxy)propyl]indole
SMILESFC(F)(F)COCCCn1ccc2cccc(Cl)c21
InChIInChI=1S/C13H13ClF3NO/c14-11-4-1-3-10-5-7-18(12(10)11)6-2-8-19-9-13(15,16)17/h1,3-5,7H,2,6,8-9H2
InChIKeyAPHWIVGUDOHSBZ-UHFFFAOYSA-N
XLogP4.26
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.70
LogP ≤ 54.26
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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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[3-(2,2,2-trifluoroethoxy)propyl]indole?
The IUPAC name of 7-chloro-1-[3-(2,2,2-trifluoroethoxy)propyl]indole (CID 103474848) is 7-chloro-1-[3-(2,2,2-trifluoroethoxy)propyl]indole.
What is the SMILES notation for 7-chloro-1-[3-(2,2,2-trifluoroethoxy)propyl]indole?
The canonical SMILES for 7-chloro-1-[3-(2,2,2-trifluoroethoxy)propyl]indole is FC(F)(F)COCCCn1ccc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-1-[3-(2,2,2-trifluoroethoxy)propyl]indole?
The InChIKey is APHWIVGUDOHSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3NO/c14-11-4-1-3-10-5-7-18(12(10)11)6-2-8-19-9-13(15,16)17/h1,3-5,7H,2,6,8-9H2.
What are the key properties of 7-chloro-1-[3-(2,2,2-trifluoroethoxy)propyl]indole?
7-chloro-1-[3-(2,2,2-trifluoroethoxy)propyl]indole has a molecular weight of 291.70 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[3-(2,2,2-trifluoroethoxy)propyl]indole is sourced from PubChem (CID 103474848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).