4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid

C16H20FNO3 — CID 106499901

IUPAC4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(O)(CN2CCc3ccc(F)cc32)CC1
InChIInChI=1S/C16H20FNO3/c17-13-2-1-11-5-8-18(14(11)9-13)10-16(21)6-3-12(4-7-16)15(19)20/h1-2,9,12,21H,3-8,10H2,(H,19,20)
InChIKeyWQOAGTSTPXFIDK-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.19
Rot. Bonds3

About 4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid

4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid (PubChem CID 106499901) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid
PubChem CID106499901
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(O)(CN2CCc3ccc(F)cc32)CC1
InChIInChI=1S/C16H20FNO3/c17-13-2-1-11-5-8-18(14(11)9-13)10-16(21)6-3-12(4-7-16)15(19)20/h1-2,9,12,21H,3-8,10H2,(H,19,20)
InChIKeyWQOAGTSTPXFIDK-UHFFFAOYSA-N
XLogP2.19
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid (CID 106499901) is 4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid is O=C(O)C1CCC(O)(CN2CCc3ccc(F)cc32)CC1.
What is the InChIKey of 4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The InChIKey is WQOAGTSTPXFIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c17-13-2-1-11-5-8-18(14(11)9-13)10-16(21)6-3-12(4-7-16)15(19)20/h1-2,9,12,21H,3-8,10H2,(H,19,20).
What are the key properties of 4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid?
4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 106499901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).