1-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-(1H-indol-2-ylmethyl)-4-methylpentan-3-ol

C22H25F2NO2 — CID 22398505

IUPAC1-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-(1H-indol-2-ylmethyl)-4-methylpentan-3-ol
SMILESCOc1ccc(F)cc1C(C)(C)C(O)C(CF)Cc1cc2ccccc2[nH]1
InChIInChI=1S/C22H25F2NO2/c1-22(2,18-12-16(24)8-9-20(18)27-3)21(26)15(13-23)11-17-10-14-6-4-5-7-19(14)25-17/h4-10,12,15,21,25-26H,11,13H2,1-3H3
InChIKeyLDFPFUXQZJXKEA-UHFFFAOYSA-N
MW373.44 g/mol
LogP4.78
Rot. Bonds7

About 1-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-(1H-indol-2-ylmethyl)-4-methylpentan-3-ol

1-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-(1H-indol-2-ylmethyl)-4-methylpentan-3-ol (PubChem CID 22398505) has the molecular formula C22H25F2NO2 and a molecular weight of 373.44 g/mol. Its IUPAC name is 1-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-(1H-indol-2-ylmethyl)-4-methylpentan-3-ol.

Molecular Properties

Compound Name1-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-(1H-indol-2-ylmethyl)-4-methylpentan-3-ol
PubChem CID22398505
Molecular FormulaC22H25F2NO2
Molecular Weight373.44 g/mol
Exact Mass373.19
IUPAC Name1-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-(1H-indol-2-ylmethyl)-4-methylpentan-3-ol
SMILESCOc1ccc(F)cc1C(C)(C)C(O)C(CF)Cc1cc2ccccc2[nH]1
InChIInChI=1S/C22H25F2NO2/c1-22(2,18-12-16(24)8-9-20(18)27-3)21(26)15(13-23)11-17-10-14-6-4-5-7-19(14)25-17/h4-10,12,15,21,25-26H,11,13H2,1-3H3
InChIKeyLDFPFUXQZJXKEA-UHFFFAOYSA-N
XLogP4.78
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-(1H-indol-2-ylmethyl)-4-methylpentan-3-ol?
The IUPAC name of 1-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-(1H-indol-2-ylmethyl)-4-methylpentan-3-ol (CID 22398505) is 1-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-(1H-indol-2-ylmethyl)-4-methylpentan-3-ol.
What is the SMILES notation for 1-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-(1H-indol-2-ylmethyl)-4-methylpentan-3-ol?
The canonical SMILES for 1-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-(1H-indol-2-ylmethyl)-4-methylpentan-3-ol is COc1ccc(F)cc1C(C)(C)C(O)C(CF)Cc1cc2ccccc2[nH]1.
What is the InChIKey of 1-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-(1H-indol-2-ylmethyl)-4-methylpentan-3-ol?
The InChIKey is LDFPFUXQZJXKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2NO2/c1-22(2,18-12-16(24)8-9-20(18)27-3)21(26)15(13-23)11-17-10-14-6-4-5-7-19(14)25-17/h4-10,12,15,21,25-26H,11,13H2,1-3H3.
What are the key properties of 1-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-(1H-indol-2-ylmethyl)-4-methylpentan-3-ol?
1-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-(1H-indol-2-ylmethyl)-4-methylpentan-3-ol has a molecular weight of 373.44 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-(1H-indol-2-ylmethyl)-4-methylpentan-3-ol is sourced from PubChem (CID 22398505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).