2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,1,1-trifluoro-3-(1H-indol-2-yl)propan-2-ol

C24H26F3NO — CID 24748960

IUPAC2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,1,1-trifluoro-3-(1H-indol-2-yl)propan-2-ol
SMILESCCC1(CC(O)(Cc2cc3ccccc3[nH]2)C(F)(F)F)CCCc2ccccc21
InChIInChI=1S/C24H26F3NO/c1-2-22(13-7-10-17-8-3-5-11-20(17)22)16-23(29,24(25,26)27)15-19-14-18-9-4-6-12-21(18)28-19/h3-6,8-9,11-12,14,28-29H,2,7,10,13,15-16H2,1H3
InChIKeyYTXMUOSDKIUWKU-UHFFFAOYSA-N
MW401.47 g/mol
LogP6.08
Rot. Bonds5

About 2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,1,1-trifluoro-3-(1H-indol-2-yl)propan-2-ol

2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,1,1-trifluoro-3-(1H-indol-2-yl)propan-2-ol (PubChem CID 24748960) has the molecular formula C24H26F3NO and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,1,1-trifluoro-3-(1H-indol-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,1,1-trifluoro-3-(1H-indol-2-yl)propan-2-ol
PubChem CID24748960
Molecular FormulaC24H26F3NO
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,1,1-trifluoro-3-(1H-indol-2-yl)propan-2-ol
SMILESCCC1(CC(O)(Cc2cc3ccccc3[nH]2)C(F)(F)F)CCCc2ccccc21
InChIInChI=1S/C24H26F3NO/c1-2-22(13-7-10-17-8-3-5-11-20(17)22)16-23(29,24(25,26)27)15-19-14-18-9-4-6-12-21(18)28-19/h3-6,8-9,11-12,14,28-29H,2,7,10,13,15-16H2,1H3
InChIKeyYTXMUOSDKIUWKU-UHFFFAOYSA-N
XLogP6.08
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,1,1-trifluoro-3-(1H-indol-2-yl)propan-2-ol?
The IUPAC name of 2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,1,1-trifluoro-3-(1H-indol-2-yl)propan-2-ol (CID 24748960) is 2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,1,1-trifluoro-3-(1H-indol-2-yl)propan-2-ol.
What is the SMILES notation for 2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,1,1-trifluoro-3-(1H-indol-2-yl)propan-2-ol?
The canonical SMILES for 2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,1,1-trifluoro-3-(1H-indol-2-yl)propan-2-ol is CCC1(CC(O)(Cc2cc3ccccc3[nH]2)C(F)(F)F)CCCc2ccccc21.
What is the InChIKey of 2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,1,1-trifluoro-3-(1H-indol-2-yl)propan-2-ol?
The InChIKey is YTXMUOSDKIUWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3NO/c1-2-22(13-7-10-17-8-3-5-11-20(17)22)16-23(29,24(25,26)27)15-19-14-18-9-4-6-12-21(18)28-19/h3-6,8-9,11-12,14,28-29H,2,7,10,13,15-16H2,1H3.
What are the key properties of 2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,1,1-trifluoro-3-(1H-indol-2-yl)propan-2-ol?
2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,1,1-trifluoro-3-(1H-indol-2-yl)propan-2-ol has a molecular weight of 401.47 g/mol, XLogP of 6.08, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,1,1-trifluoro-3-(1H-indol-2-yl)propan-2-ol is sourced from PubChem (CID 24748960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).