1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(1H-indol-2-yl)propan-2-ol

C21H19F4NO — CID 10172630

IUPAC1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(1H-indol-2-yl)propan-2-ol
SMILESOC(Cc1cc2ccccc2[nH]1)(CC1(c2ccc(F)cc2)CC1)C(F)(F)F
InChIInChI=1S/C21H19F4NO/c22-16-7-5-15(6-8-16)19(9-10-19)13-20(27,21(23,24)25)12-17-11-14-3-1-2-4-18(14)26-17/h1-8,11,26-27H,9-10,12-13H2
InChIKeyXEBKNJMUCCJLCQ-UHFFFAOYSA-N
MW377.38 g/mol
LogP5.26
Rot. Bonds5

About 1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(1H-indol-2-yl)propan-2-ol

1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(1H-indol-2-yl)propan-2-ol (PubChem CID 10172630) has the molecular formula C21H19F4NO and a molecular weight of 377.38 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(1H-indol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(1H-indol-2-yl)propan-2-ol
PubChem CID10172630
Molecular FormulaC21H19F4NO
Molecular Weight377.38 g/mol
Exact Mass377.14
IUPAC Name1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(1H-indol-2-yl)propan-2-ol
SMILESOC(Cc1cc2ccccc2[nH]1)(CC1(c2ccc(F)cc2)CC1)C(F)(F)F
InChIInChI=1S/C21H19F4NO/c22-16-7-5-15(6-8-16)19(9-10-19)13-20(27,21(23,24)25)12-17-11-14-3-1-2-4-18(14)26-17/h1-8,11,26-27H,9-10,12-13H2
InChIKeyXEBKNJMUCCJLCQ-UHFFFAOYSA-N
XLogP5.26
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.38
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(1H-indol-2-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(1H-indol-2-yl)propan-2-ol (CID 10172630) is 1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(1H-indol-2-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(1H-indol-2-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(1H-indol-2-yl)propan-2-ol is OC(Cc1cc2ccccc2[nH]1)(CC1(c2ccc(F)cc2)CC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(1H-indol-2-yl)propan-2-ol?
The InChIKey is XEBKNJMUCCJLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4NO/c22-16-7-5-15(6-8-16)19(9-10-19)13-20(27,21(23,24)25)12-17-11-14-3-1-2-4-18(14)26-17/h1-8,11,26-27H,9-10,12-13H2.
What are the key properties of 1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(1H-indol-2-yl)propan-2-ol?
1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(1H-indol-2-yl)propan-2-ol has a molecular weight of 377.38 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(1H-indol-2-yl)propan-2-ol is sourced from PubChem (CID 10172630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).