4-fluoro-1-(4,4,4-trifluorobutyl)indole

C12H11F4N — CID 82792819

IUPAC4-fluoro-1-(4,4,4-trifluorobutyl)indole
SMILESFc1cccc2c1ccn2CCCC(F)(F)F
InChIInChI=1S/C12H11F4N/c13-10-3-1-4-11-9(10)5-8-17(11)7-2-6-12(14,15)16/h1,3-5,8H,2,6-7H2
InChIKeyDMRPVEOEOPBOAC-UHFFFAOYSA-N
MW245.22 g/mol
LogP4.12
Rot. Bonds3

About 4-fluoro-1-(4,4,4-trifluorobutyl)indole

4-fluoro-1-(4,4,4-trifluorobutyl)indole (PubChem CID 82792819) has the molecular formula C12H11F4N and a molecular weight of 245.22 g/mol. Its IUPAC name is 4-fluoro-1-(4,4,4-trifluorobutyl)indole.

Molecular Properties

Compound Name4-fluoro-1-(4,4,4-trifluorobutyl)indole
PubChem CID82792819
Molecular FormulaC12H11F4N
Molecular Weight245.22 g/mol
Exact Mass245.08
IUPAC Name4-fluoro-1-(4,4,4-trifluorobutyl)indole
SMILESFc1cccc2c1ccn2CCCC(F)(F)F
InChIInChI=1S/C12H11F4N/c13-10-3-1-4-11-9(10)5-8-17(11)7-2-6-12(14,15)16/h1,3-5,8H,2,6-7H2
InChIKeyDMRPVEOEOPBOAC-UHFFFAOYSA-N
XLogP4.12
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(4,4,4-trifluorobutyl)indole?
The IUPAC name of 4-fluoro-1-(4,4,4-trifluorobutyl)indole (CID 82792819) is 4-fluoro-1-(4,4,4-trifluorobutyl)indole.
What is the SMILES notation for 4-fluoro-1-(4,4,4-trifluorobutyl)indole?
The canonical SMILES for 4-fluoro-1-(4,4,4-trifluorobutyl)indole is Fc1cccc2c1ccn2CCCC(F)(F)F.
What is the InChIKey of 4-fluoro-1-(4,4,4-trifluorobutyl)indole?
The InChIKey is DMRPVEOEOPBOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4N/c13-10-3-1-4-11-9(10)5-8-17(11)7-2-6-12(14,15)16/h1,3-5,8H,2,6-7H2.
What are the key properties of 4-fluoro-1-(4,4,4-trifluorobutyl)indole?
4-fluoro-1-(4,4,4-trifluorobutyl)indole has a molecular weight of 245.22 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(4,4,4-trifluorobutyl)indole is sourced from PubChem (CID 82792819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).