(2S)-1,1,1,3,3-pentafluoro-2-(1-methyl-5-phenylmethoxyindol-3-yl)propan-2-ol

C19H16F5NO2 — CID 139051019

IUPAC(2S)-1,1,1,3,3-pentafluoro-2-(1-methyl-5-phenylmethoxyindol-3-yl)propan-2-ol
SMILESCn1cc([C@](O)(C(F)F)C(F)(F)F)c2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C19H16F5NO2/c1-25-10-15(18(26,17(20)21)19(22,23)24)14-9-13(7-8-16(14)25)27-11-12-5-3-2-4-6-12/h2-10,17,26H,11H2,1H3/t18-/m0/s1
InChIKeyAYRXATJCFCQPGU-SFHVURJKSA-N
MW385.33 g/mol
LogP4.77
Rot. Bonds5

About (2S)-1,1,1,3,3-pentafluoro-2-(1-methyl-5-phenylmethoxyindol-3-yl)propan-2-ol

(2S)-1,1,1,3,3-pentafluoro-2-(1-methyl-5-phenylmethoxyindol-3-yl)propan-2-ol (PubChem CID 139051019) has the molecular formula C19H16F5NO2 and a molecular weight of 385.33 g/mol. Its IUPAC name is (2S)-1,1,1,3,3-pentafluoro-2-(1-methyl-5-phenylmethoxyindol-3-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1,3,3-pentafluoro-2-(1-methyl-5-phenylmethoxyindol-3-yl)propan-2-ol
PubChem CID139051019
Molecular FormulaC19H16F5NO2
Molecular Weight385.33 g/mol
Exact Mass385.11
IUPAC Name(2S)-1,1,1,3,3-pentafluoro-2-(1-methyl-5-phenylmethoxyindol-3-yl)propan-2-ol
SMILESCn1cc([C@](O)(C(F)F)C(F)(F)F)c2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C19H16F5NO2/c1-25-10-15(18(26,17(20)21)19(22,23)24)14-9-13(7-8-16(14)25)27-11-12-5-3-2-4-6-12/h2-10,17,26H,11H2,1H3/t18-/m0/s1
InChIKeyAYRXATJCFCQPGU-SFHVURJKSA-N
XLogP4.77
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.33
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Idalopirdine
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5-(Benzyloxy)tryptamine
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N,N-Dimethyl-5-(phenylmethoxy)-1H-indole-3-methanamine
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5-(Nonyloxy)tryptamine
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5-Benzyloxy-3-(2-hydroxyethyl)indole
CID 744849
N-Methyl-5-benzyloxyindole
CID 259196
2-(5-Octyloxy-1H-indol-3-yl)-ethylamine
CID 10613373
2-(5-Heptyloxy-1H-indol-3-yl)-ethylamine
CID 10802304
1,6-Bis(4-propan-2-yloxyphenyl)indole
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1H-Indole-3-ethanamine, N,N'-dimethyl-5-(phenylmethoxy)-
CID 59022

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1,3,3-pentafluoro-2-(1-methyl-5-phenylmethoxyindol-3-yl)propan-2-ol?
The IUPAC name of (2S)-1,1,1,3,3-pentafluoro-2-(1-methyl-5-phenylmethoxyindol-3-yl)propan-2-ol (CID 139051019) is (2S)-1,1,1,3,3-pentafluoro-2-(1-methyl-5-phenylmethoxyindol-3-yl)propan-2-ol.
What is the SMILES notation for (2S)-1,1,1,3,3-pentafluoro-2-(1-methyl-5-phenylmethoxyindol-3-yl)propan-2-ol?
The canonical SMILES for (2S)-1,1,1,3,3-pentafluoro-2-(1-methyl-5-phenylmethoxyindol-3-yl)propan-2-ol is Cn1cc([C@](O)(C(F)F)C(F)(F)F)c2cc(OCc3ccccc3)ccc21.
What is the InChIKey of (2S)-1,1,1,3,3-pentafluoro-2-(1-methyl-5-phenylmethoxyindol-3-yl)propan-2-ol?
The InChIKey is AYRXATJCFCQPGU-SFHVURJKSA-N. The full InChI is InChI=1S/C19H16F5NO2/c1-25-10-15(18(26,17(20)21)19(22,23)24)14-9-13(7-8-16(14)25)27-11-12-5-3-2-4-6-12/h2-10,17,26H,11H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-1,1,1,3,3-pentafluoro-2-(1-methyl-5-phenylmethoxyindol-3-yl)propan-2-ol?
(2S)-1,1,1,3,3-pentafluoro-2-(1-methyl-5-phenylmethoxyindol-3-yl)propan-2-ol has a molecular weight of 385.33 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1,3,3-pentafluoro-2-(1-methyl-5-phenylmethoxyindol-3-yl)propan-2-ol is sourced from PubChem (CID 139051019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).