1-[3-chloro-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol

C15H13ClF3NO — CID 116700795

IUPAC1-[3-chloro-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol
SMILESOC1CCCc2c1ccn2-c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C15H13ClF3NO/c16-10-6-9(15(17,18)19)7-11(8-10)20-5-4-12-13(20)2-1-3-14(12)21/h4-8,14,21H,1-3H2
InChIKeyRWZMNXRZQNXESG-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.52
Rot. Bonds1

About 1-[3-chloro-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol

1-[3-chloro-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol (PubChem CID 116700795) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol
PubChem CID116700795
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name1-[3-chloro-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol
SMILESOC1CCCc2c1ccn2-c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C15H13ClF3NO/c16-10-6-9(15(17,18)19)7-11(8-10)20-5-4-12-13(20)2-1-3-14(12)21/h4-8,14,21H,1-3H2
InChIKeyRWZMNXRZQNXESG-UHFFFAOYSA-N
XLogP4.52
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol (CID 116700795) is 1-[3-chloro-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol is OC1CCCc2c1ccn2-c1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol?
The InChIKey is RWZMNXRZQNXESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c16-10-6-9(15(17,18)19)7-11(8-10)20-5-4-12-13(20)2-1-3-14(12)21/h4-8,14,21H,1-3H2.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol?
1-[3-chloro-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol has a molecular weight of 315.72 g/mol, XLogP of 4.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol is sourced from PubChem (CID 116700795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).