4-chloro-2-[3-fluoro-6-(trifluoromethyl)-1,2-dihydroindol-3-yl]phenol

C15H10ClF4NO — CID 140974857

IUPAC4-chloro-2-[3-fluoro-6-(trifluoromethyl)-1,2-dihydroindol-3-yl]phenol
SMILESOc1ccc(Cl)cc1C1(F)CNc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C15H10ClF4NO/c16-9-2-4-13(22)11(6-9)14(17)7-21-12-5-8(15(18,19)20)1-3-10(12)14/h1-6,21-22H,7H2
InChIKeyHWFJKHXLDSLGLB-UHFFFAOYSA-N
MW331.70 g/mol
LogP4.70
Rot. Bonds1

About 4-chloro-2-[3-fluoro-6-(trifluoromethyl)-1,2-dihydroindol-3-yl]phenol

4-chloro-2-[3-fluoro-6-(trifluoromethyl)-1,2-dihydroindol-3-yl]phenol (PubChem CID 140974857) has the molecular formula C15H10ClF4NO and a molecular weight of 331.70 g/mol. Its IUPAC name is 4-chloro-2-[3-fluoro-6-(trifluoromethyl)-1,2-dihydroindol-3-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[3-fluoro-6-(trifluoromethyl)-1,2-dihydroindol-3-yl]phenol
PubChem CID140974857
Molecular FormulaC15H10ClF4NO
Molecular Weight331.70 g/mol
Exact Mass331.04
IUPAC Name4-chloro-2-[3-fluoro-6-(trifluoromethyl)-1,2-dihydroindol-3-yl]phenol
SMILESOc1ccc(Cl)cc1C1(F)CNc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C15H10ClF4NO/c16-9-2-4-13(22)11(6-9)14(17)7-21-12-5-8(15(18,19)20)1-3-10(12)14/h1-6,21-22H,7H2
InChIKeyHWFJKHXLDSLGLB-UHFFFAOYSA-N
XLogP4.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.70
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-fluoro-6-(trifluoromethyl)-1,2-dihydroindol-3-yl]phenol?
The IUPAC name of 4-chloro-2-[3-fluoro-6-(trifluoromethyl)-1,2-dihydroindol-3-yl]phenol (CID 140974857) is 4-chloro-2-[3-fluoro-6-(trifluoromethyl)-1,2-dihydroindol-3-yl]phenol.
What is the SMILES notation for 4-chloro-2-[3-fluoro-6-(trifluoromethyl)-1,2-dihydroindol-3-yl]phenol?
The canonical SMILES for 4-chloro-2-[3-fluoro-6-(trifluoromethyl)-1,2-dihydroindol-3-yl]phenol is Oc1ccc(Cl)cc1C1(F)CNc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 4-chloro-2-[3-fluoro-6-(trifluoromethyl)-1,2-dihydroindol-3-yl]phenol?
The InChIKey is HWFJKHXLDSLGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF4NO/c16-9-2-4-13(22)11(6-9)14(17)7-21-12-5-8(15(18,19)20)1-3-10(12)14/h1-6,21-22H,7H2.
What are the key properties of 4-chloro-2-[3-fluoro-6-(trifluoromethyl)-1,2-dihydroindol-3-yl]phenol?
4-chloro-2-[3-fluoro-6-(trifluoromethyl)-1,2-dihydroindol-3-yl]phenol has a molecular weight of 331.70 g/mol, XLogP of 4.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-fluoro-6-(trifluoromethyl)-1,2-dihydroindol-3-yl]phenol is sourced from PubChem (CID 140974857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).