1-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluoro-2,3-dihydroindene-1-carboxylic acid

C25H20FNO4 — CID 170907405

IUPAC1-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluoro-2,3-dihydroindene-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCc2ccc(F)cc21)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H20FNO4/c26-16-10-9-15-11-12-25(23(28)29,22(15)13-16)27-24(30)31-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-10,13,21H,11-12,14H2,(H,27,30)(H,28,29)
InChIKeyTUNASCHUCJVXKV-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.59
Rot. Bonds4

About 1-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluoro-2,3-dihydroindene-1-carboxylic acid

1-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluoro-2,3-dihydroindene-1-carboxylic acid (PubChem CID 170907405) has the molecular formula C25H20FNO4 and a molecular weight of 417.44 g/mol. Its IUPAC name is 1-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluoro-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name1-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluoro-2,3-dihydroindene-1-carboxylic acid
PubChem CID170907405
Molecular FormulaC25H20FNO4
Molecular Weight417.44 g/mol
Exact Mass417.14
IUPAC Name1-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluoro-2,3-dihydroindene-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCc2ccc(F)cc21)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H20FNO4/c26-16-10-9-15-11-12-25(23(28)29,22(15)13-16)27-24(30)31-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-10,13,21H,11-12,14H2,(H,27,30)(H,28,29)
InChIKeyTUNASCHUCJVXKV-UHFFFAOYSA-N
XLogP4.59
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluoro-2,3-dihydroindene-1-carboxylic acid with MolForge

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Related Compounds

(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dihydroindene-1-carboxylic acid
CID 1268153
6-fluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 138110145
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-difluorocyclopentane-1-carboxylic acid
CID 171397176
4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,1-dioxothiane-4-carboxylic acid
CID 1268237
trans-(1R,2S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxycyclopentane-1-carboxylic acid
CID 23397419
5-bromo-2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-dihydroindene-2-carboxylic acid
CID 165341101
1-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-5-fluoro-2,3-dihydroindene-1-carboxylic acid
CID 104889861
(1R,5S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.2.0]heptane-3-carboxylic acid
CID 178200031
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxycyclopentane-1-carboxylic acid
CID 22662155
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylcyclobutane-1-carboxylic acid
CID 103563616
8-(9H-fluoren-9-ylmethoxycarbonylamino)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 1268221
9H-fluoren-9-ylmethyl N-[3-(hydroxymethyl)oxolan-3-yl]carbamate
CID 130950344

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluoro-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 1-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluoro-2,3-dihydroindene-1-carboxylic acid (CID 170907405) is 1-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluoro-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 1-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluoro-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 1-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluoro-2,3-dihydroindene-1-carboxylic acid is O=C(NC1(C(=O)O)CCc2ccc(F)cc21)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 1-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluoro-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is TUNASCHUCJVXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FNO4/c26-16-10-9-15-11-12-25(23(28)29,22(15)13-16)27-24(30)31-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-10,13,21H,11-12,14H2,(H,27,30)(H,28,29).
What are the key properties of 1-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluoro-2,3-dihydroindene-1-carboxylic acid?
1-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluoro-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 417.44 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluoro-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 170907405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).