(4S)-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol

C15H10ClF6NO — CID 162383363

IUPAC(4S)-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
SMILESO[C@H]1c2c(C(F)(F)F)cn(-c3cc(F)cc(Cl)c3)c2CCC1(F)F
InChIInChI=1S/C15H10ClF6NO/c16-7-3-8(17)5-9(4-7)23-6-10(15(20,21)22)12-11(23)1-2-14(18,19)13(12)24/h3-6,13,24H,1-2H2/t13-/m0/s1
InChIKeyBDCLUKYZPPQCHA-ZDUSSCGKSA-N
MW369.69 g/mol
LogP4.90
Rot. Bonds1

About (4S)-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol

(4S)-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol (PubChem CID 162383363) has the molecular formula C15H10ClF6NO and a molecular weight of 369.69 g/mol. Its IUPAC name is (4S)-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name(4S)-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
PubChem CID162383363
Molecular FormulaC15H10ClF6NO
Molecular Weight369.69 g/mol
Exact Mass369.04
IUPAC Name(4S)-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
SMILESO[C@H]1c2c(C(F)(F)F)cn(-c3cc(F)cc(Cl)c3)c2CCC1(F)F
InChIInChI=1S/C15H10ClF6NO/c16-7-3-8(17)5-9(4-7)23-6-10(15(20,21)22)12-11(23)1-2-14(18,19)13(12)24/h3-6,13,24H,1-2H2/t13-/m0/s1
InChIKeyBDCLUKYZPPQCHA-ZDUSSCGKSA-N
XLogP4.90
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.69
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
The IUPAC name of (4S)-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol (CID 162383363) is (4S)-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for (4S)-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
The canonical SMILES for (4S)-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol is O[C@H]1c2c(C(F)(F)F)cn(-c3cc(F)cc(Cl)c3)c2CCC1(F)F.
What is the InChIKey of (4S)-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
The InChIKey is BDCLUKYZPPQCHA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H10ClF6NO/c16-7-3-8(17)5-9(4-7)23-6-10(15(20,21)22)12-11(23)1-2-14(18,19)13(12)24/h3-6,13,24H,1-2H2/t13-/m0/s1.
What are the key properties of (4S)-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
(4S)-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol has a molecular weight of 369.69 g/mol, XLogP of 4.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 162383363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).