[(S)-[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]-phenylmethyl] carbamate

C17H16FNO2 — CID 160876236

IUPAC[(S)-[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]-phenylmethyl] carbamate
SMILESNC(=O)O[C@H](c1ccccc1)[C@@H]1Cc2ccc(F)cc2C1
InChIInChI=1S/C17H16FNO2/c18-15-7-6-12-8-14(9-13(12)10-15)16(21-17(19)20)11-4-2-1-3-5-11/h1-7,10,14,16H,8-9H2,(H2,19,20)/t14-,16-/m1/s1
InChIKeySMKUPAZRXKBMCP-GDBMZVCRSA-N
MW285.32 g/mol
LogP3.38
Rot. Bonds3

About [(S)-[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]-phenylmethyl] carbamate

[(S)-[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]-phenylmethyl] carbamate (PubChem CID 160876236) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is [(S)-[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]-phenylmethyl] carbamate.

Molecular Properties

Compound Name[(S)-[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]-phenylmethyl] carbamate
PubChem CID160876236
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name[(S)-[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]-phenylmethyl] carbamate
SMILESNC(=O)O[C@H](c1ccccc1)[C@@H]1Cc2ccc(F)cc2C1
InChIInChI=1S/C17H16FNO2/c18-15-7-6-12-8-14(9-13(12)10-15)16(21-17(19)20)11-4-2-1-3-5-11/h1-7,10,14,16H,8-9H2,(H2,19,20)/t14-,16-/m1/s1
InChIKeySMKUPAZRXKBMCP-GDBMZVCRSA-N
XLogP3.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(S)-[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]-phenylmethyl] carbamate?
The IUPAC name of [(S)-[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]-phenylmethyl] carbamate (CID 160876236) is [(S)-[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]-phenylmethyl] carbamate.
What is the SMILES notation for [(S)-[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]-phenylmethyl] carbamate?
The canonical SMILES for [(S)-[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]-phenylmethyl] carbamate is NC(=O)O[C@H](c1ccccc1)[C@@H]1Cc2ccc(F)cc2C1.
What is the InChIKey of [(S)-[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]-phenylmethyl] carbamate?
The InChIKey is SMKUPAZRXKBMCP-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H16FNO2/c18-15-7-6-12-8-14(9-13(12)10-15)16(21-17(19)20)11-4-2-1-3-5-11/h1-7,10,14,16H,8-9H2,(H2,19,20)/t14-,16-/m1/s1.
What are the key properties of [(S)-[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]-phenylmethyl] carbamate?
[(S)-[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]-phenylmethyl] carbamate has a molecular weight of 285.32 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]-phenylmethyl] carbamate is sourced from PubChem (CID 160876236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).