6-[1-[(2-fluorophenyl)methyl]indol-3-yl]-1-(oxolan-2-yl)hexan-3-one;molecular hydrogen

C25H30FNO2 — CID 154688189

IUPAC6-[1-[(2-fluorophenyl)methyl]indol-3-yl]-1-(oxolan-2-yl)hexan-3-one;molecular hydrogen
SMILESO=C(CCCc1cn(Cc2ccccc2F)c2ccccc12)CCC1CCCO1.[H][H]
InChIInChI=1S/C25H28FNO2.H2/c26-24-12-3-1-7-20(24)18-27-17-19(23-11-2-4-13-25(23)27)8-5-9-21(28)14-15-22-10-6-16-29-22;/h1-4,7,11-13,17,22H,5-6,8-10,14-16,18H2;1H
InChIKeyIXKLHEAHLCVWHH-UHFFFAOYSA-N
MW395.52 g/mol
LogP5.93
Rot. Bonds9

About 6-[1-[(2-fluorophenyl)methyl]indol-3-yl]-1-(oxolan-2-yl)hexan-3-one;molecular hydrogen

6-[1-[(2-fluorophenyl)methyl]indol-3-yl]-1-(oxolan-2-yl)hexan-3-one;molecular hydrogen (PubChem CID 154688189) has the molecular formula C25H30FNO2 and a molecular weight of 395.52 g/mol. Its IUPAC name is 6-[1-[(2-fluorophenyl)methyl]indol-3-yl]-1-(oxolan-2-yl)hexan-3-one;molecular hydrogen.

Molecular Properties

Compound Name6-[1-[(2-fluorophenyl)methyl]indol-3-yl]-1-(oxolan-2-yl)hexan-3-one;molecular hydrogen
PubChem CID154688189
Molecular FormulaC25H30FNO2
Molecular Weight395.52 g/mol
Exact Mass395.23
IUPAC Name6-[1-[(2-fluorophenyl)methyl]indol-3-yl]-1-(oxolan-2-yl)hexan-3-one;molecular hydrogen
SMILESO=C(CCCc1cn(Cc2ccccc2F)c2ccccc12)CCC1CCCO1.[H][H]
InChIInChI=1S/C25H28FNO2.H2/c26-24-12-3-1-7-20(24)18-27-17-19(23-11-2-4-13-25(23)27)8-5-9-21(28)14-15-22-10-6-16-29-22;/h1-4,7,11-13,17,22H,5-6,8-10,14-16,18H2;1H
InChIKeyIXKLHEAHLCVWHH-UHFFFAOYSA-N
XLogP5.93
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.52
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(2-fluorophenyl)methyl]indol-3-yl]butanoic acid
CID 53212403
N-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124782017
2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide
CID 5312085
1-(2-fluorophenyl)-4-(oxan-2-yl)butan-2-one
CID 63952955
4-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)butanamide
CID 164781458
1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-one
CID 114976783
N-methyl-2-[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]ethanamine
CID 65165238
1-ethyl-2-fluorobenzene;4-[1-[(2-fluorophenyl)methyl]indol-3-yl]butanal
CID 154688095
4-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-pyrrolidin-1-ylbutan-1-one
CID 22522978
3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide
CID 92721949
N-[2-(cyclohexen-1-yl)ethyl]-3-[1-[(2-fluorophenyl)methyl]indol-3-yl]propanamide
CID 20899982
4-[1-(cyclobutylmethyl)indol-3-yl]butanoic acid
CID 65458314

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(2-fluorophenyl)methyl]indol-3-yl]-1-(oxolan-2-yl)hexan-3-one;molecular hydrogen?
The IUPAC name of 6-[1-[(2-fluorophenyl)methyl]indol-3-yl]-1-(oxolan-2-yl)hexan-3-one;molecular hydrogen (CID 154688189) is 6-[1-[(2-fluorophenyl)methyl]indol-3-yl]-1-(oxolan-2-yl)hexan-3-one;molecular hydrogen.
What is the SMILES notation for 6-[1-[(2-fluorophenyl)methyl]indol-3-yl]-1-(oxolan-2-yl)hexan-3-one;molecular hydrogen?
The canonical SMILES for 6-[1-[(2-fluorophenyl)methyl]indol-3-yl]-1-(oxolan-2-yl)hexan-3-one;molecular hydrogen is O=C(CCCc1cn(Cc2ccccc2F)c2ccccc12)CCC1CCCO1.[H][H].
What is the InChIKey of 6-[1-[(2-fluorophenyl)methyl]indol-3-yl]-1-(oxolan-2-yl)hexan-3-one;molecular hydrogen?
The InChIKey is IXKLHEAHLCVWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FNO2.H2/c26-24-12-3-1-7-20(24)18-27-17-19(23-11-2-4-13-25(23)27)8-5-9-21(28)14-15-22-10-6-16-29-22;/h1-4,7,11-13,17,22H,5-6,8-10,14-16,18H2;1H.
What are the key properties of 6-[1-[(2-fluorophenyl)methyl]indol-3-yl]-1-(oxolan-2-yl)hexan-3-one;molecular hydrogen?
6-[1-[(2-fluorophenyl)methyl]indol-3-yl]-1-(oxolan-2-yl)hexan-3-one;molecular hydrogen has a molecular weight of 395.52 g/mol, XLogP of 5.93, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(2-fluorophenyl)methyl]indol-3-yl]-1-(oxolan-2-yl)hexan-3-one;molecular hydrogen is sourced from PubChem (CID 154688189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).