5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-indole

C15H9ClF3N — CID 134329054

IUPAC5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-indole
SMILESFC(F)(F)c1ccc(-c2ccc3[nH]ccc3c2)c(Cl)c1
InChIInChI=1S/C15H9ClF3N/c16-13-8-11(15(17,18)19)2-3-12(13)9-1-4-14-10(7-9)5-6-20-14/h1-8,20H
InChIKeyHCOZWNCTCKSCOM-UHFFFAOYSA-N
MW295.69 g/mol
LogP5.51
Rot. Bonds1

About 5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-indole

5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-indole (PubChem CID 134329054) has the molecular formula C15H9ClF3N and a molecular weight of 295.69 g/mol. Its IUPAC name is 5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-indole.

Molecular Properties

Compound Name5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-indole
PubChem CID134329054
Molecular FormulaC15H9ClF3N
Molecular Weight295.69 g/mol
Exact Mass295.04
IUPAC Name5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-indole
SMILESFC(F)(F)c1ccc(-c2ccc3[nH]ccc3c2)c(Cl)c1
InChIInChI=1S/C15H9ClF3N/c16-13-8-11(15(17,18)19)2-3-12(13)9-1-4-14-10(7-9)5-6-20-14/h1-8,20H
InChIKeyHCOZWNCTCKSCOM-UHFFFAOYSA-N
XLogP5.51
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.69
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

5-(4-tert-butylphenyl)-1H-indole
CID 16768580
5-(2,4-difluorophenyl)-1H-indole
CID 10176960
2-chloro-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene
CID 118999105
2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 54501466
7-(1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
CID 45484856
3-[2-chloro-4-(trifluoromethyl)phenyl]benzaldehyde
CID 173112639
6-(1H-indol-5-yl)-N,N-bis[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 118414123
1-(3,4-dichlorophenyl)-2,4-bis(trifluoromethyl)benzene
CID 173271206
6-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole
CID 118589031
1-(1H-indol-5-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione
CID 90363615
2-fluoro-2-(1H-indol-5-yl)propanal
CID 174565115
2-chloro-4-(chloromethyl)-1-[4-(trifluoromethyl)phenyl]benzene
CID 134619724

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-indole?
The IUPAC name of 5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-indole (CID 134329054) is 5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-indole.
What is the SMILES notation for 5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-indole?
The canonical SMILES for 5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-indole is FC(F)(F)c1ccc(-c2ccc3[nH]ccc3c2)c(Cl)c1.
What is the InChIKey of 5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-indole?
The InChIKey is HCOZWNCTCKSCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N/c16-13-8-11(15(17,18)19)2-3-12(13)9-1-4-14-10(7-9)5-6-20-14/h1-8,20H.
What are the key properties of 5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-indole?
5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-indole has a molecular weight of 295.69 g/mol, XLogP of 5.51, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-indole is sourced from PubChem (CID 134329054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).