2-fluoro-5-[5-fluoro-4-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indol-1-yl]benzonitrile

C18H15F5N2O — CID 162383409

IUPAC2-fluoro-5-[5-fluoro-4-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indol-1-yl]benzonitrile
SMILESCC1(C)Cc2c(c(C(F)(F)F)cn2-c2ccc(F)c(C#N)c2)C(O)C1F
InChIInChI=1S/C18H15F5N2O/c1-17(2)6-13-14(15(26)16(17)20)11(18(21,22)23)8-25(13)10-3-4-12(19)9(5-10)7-24/h3-5,8,15-16,26H,6H2,1-2H3
InChIKeyWEKDFZBUZHADHI-UHFFFAOYSA-N
MW370.32 g/mol
LogP4.46
Rot. Bonds1

About 2-fluoro-5-[5-fluoro-4-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indol-1-yl]benzonitrile

2-fluoro-5-[5-fluoro-4-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indol-1-yl]benzonitrile (PubChem CID 162383409) has the molecular formula C18H15F5N2O and a molecular weight of 370.32 g/mol. Its IUPAC name is 2-fluoro-5-[5-fluoro-4-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indol-1-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[5-fluoro-4-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indol-1-yl]benzonitrile
PubChem CID162383409
Molecular FormulaC18H15F5N2O
Molecular Weight370.32 g/mol
Exact Mass370.11
IUPAC Name2-fluoro-5-[5-fluoro-4-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indol-1-yl]benzonitrile
SMILESCC1(C)Cc2c(c(C(F)(F)F)cn2-c2ccc(F)c(C#N)c2)C(O)C1F
InChIInChI=1S/C18H15F5N2O/c1-17(2)6-13-14(15(26)16(17)20)11(18(21,22)23)8-25(13)10-3-4-12(19)9(5-10)7-24/h3-5,8,15-16,26H,6H2,1-2H3
InChIKeyWEKDFZBUZHADHI-UHFFFAOYSA-N
XLogP4.46
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Bis(4-fluorophenyl)-1-[hydroxy(phenyl)methyl]indolizine-7-carbonitrile
CID 11293493
5,6-Difluoro-1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol
CID 162383497
1-(1-Hydroxy-2,2-dimethyl-propyl)-2,3-diphenyl-indolizine-7-carbonitrile
CID 16102543
US20250042853, Example 41
CID 168252498
US20250042853, Example 107
CID 168252503
US20250042853, Example 46
CID 168252509
US20250042853, Example 49
CID 168252522
US20250042853, Example 72
CID 168252524
US20250042853, Example 31
CID 175680560
3-(2-Fluoropyridin-3-yl)-8-hydroxy-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carbonitrile
CID 22012095
1-(3,5-Difluorophenyl)-4,5,6,7-tetrahydroindol-4-ol
CID 61972809
1-(3,4,5-Trifluorophenyl)-4,5,6,7-tetrahydroindol-4-ol
CID 62813278

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[5-fluoro-4-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indol-1-yl]benzonitrile?
The IUPAC name of 2-fluoro-5-[5-fluoro-4-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indol-1-yl]benzonitrile (CID 162383409) is 2-fluoro-5-[5-fluoro-4-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indol-1-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[5-fluoro-4-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indol-1-yl]benzonitrile?
The canonical SMILES for 2-fluoro-5-[5-fluoro-4-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indol-1-yl]benzonitrile is CC1(C)Cc2c(c(C(F)(F)F)cn2-c2ccc(F)c(C#N)c2)C(O)C1F.
What is the InChIKey of 2-fluoro-5-[5-fluoro-4-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indol-1-yl]benzonitrile?
The InChIKey is WEKDFZBUZHADHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F5N2O/c1-17(2)6-13-14(15(26)16(17)20)11(18(21,22)23)8-25(13)10-3-4-12(19)9(5-10)7-24/h3-5,8,15-16,26H,6H2,1-2H3.
What are the key properties of 2-fluoro-5-[5-fluoro-4-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indol-1-yl]benzonitrile?
2-fluoro-5-[5-fluoro-4-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indol-1-yl]benzonitrile has a molecular weight of 370.32 g/mol, XLogP of 4.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[5-fluoro-4-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indol-1-yl]benzonitrile is sourced from PubChem (CID 162383409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).