1-ethyl-6-[4-(trifluoromethoxy)phenyl]indole

C17H14F3NO — CID 22032905

IUPAC1-ethyl-6-[4-(trifluoromethoxy)phenyl]indole
SMILESCCn1ccc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21
InChIInChI=1S/C17H14F3NO/c1-2-21-10-9-13-3-4-14(11-16(13)21)12-5-7-15(8-6-12)22-17(18,19)20/h3-11H,2H2,1H3
InChIKeyUWSCRSGVNTVNSB-UHFFFAOYSA-N
MW305.30 g/mol
LogP5.23
Rot. Bonds3

About 1-ethyl-6-[4-(trifluoromethoxy)phenyl]indole

1-ethyl-6-[4-(trifluoromethoxy)phenyl]indole (PubChem CID 22032905) has the molecular formula C17H14F3NO and a molecular weight of 305.30 g/mol. Its IUPAC name is 1-ethyl-6-[4-(trifluoromethoxy)phenyl]indole.

Molecular Properties

Compound Name1-ethyl-6-[4-(trifluoromethoxy)phenyl]indole
PubChem CID22032905
Molecular FormulaC17H14F3NO
Molecular Weight305.30 g/mol
Exact Mass305.10
IUPAC Name1-ethyl-6-[4-(trifluoromethoxy)phenyl]indole
SMILESCCn1ccc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21
InChIInChI=1S/C17H14F3NO/c1-2-21-10-9-13-3-4-14(11-16(13)21)12-5-7-15(8-6-12)22-17(18,19)20/h3-11H,2H2,1H3
InChIKeyUWSCRSGVNTVNSB-UHFFFAOYSA-N
XLogP5.23
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.30
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-[4-(trifluoromethoxy)phenyl]indole?
The IUPAC name of 1-ethyl-6-[4-(trifluoromethoxy)phenyl]indole (CID 22032905) is 1-ethyl-6-[4-(trifluoromethoxy)phenyl]indole.
What is the SMILES notation for 1-ethyl-6-[4-(trifluoromethoxy)phenyl]indole?
The canonical SMILES for 1-ethyl-6-[4-(trifluoromethoxy)phenyl]indole is CCn1ccc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21.
What is the InChIKey of 1-ethyl-6-[4-(trifluoromethoxy)phenyl]indole?
The InChIKey is UWSCRSGVNTVNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO/c1-2-21-10-9-13-3-4-14(11-16(13)21)12-5-7-15(8-6-12)22-17(18,19)20/h3-11H,2H2,1H3.
What are the key properties of 1-ethyl-6-[4-(trifluoromethoxy)phenyl]indole?
1-ethyl-6-[4-(trifluoromethoxy)phenyl]indole has a molecular weight of 305.30 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-[4-(trifluoromethoxy)phenyl]indole is sourced from PubChem (CID 22032905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).