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

C17H16FNO2 — CID 67161006

IUPAC[[(2S)-5-fluoro-2,3-dihydro-1H-inden-2-yl]-phenylmethyl] carbamate
SMILESNC(=O)OC(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?/m0/s1
InChIKeySMKUPAZRXKBMCP-LBAUFKAWSA-N
MW285.32 g/mol
LogP3.38
Rot. Bonds3

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

[[(2S)-5-fluoro-2,3-dihydro-1H-inden-2-yl]-phenylmethyl] carbamate (PubChem CID 67161006) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is [[(2S)-5-fluoro-2,3-dihydro-1H-inden-2-yl]-phenylmethyl] carbamate.

Molecular Properties

Compound Name[[(2S)-5-fluoro-2,3-dihydro-1H-inden-2-yl]-phenylmethyl] carbamate
PubChem CID67161006
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name[[(2S)-5-fluoro-2,3-dihydro-1H-inden-2-yl]-phenylmethyl] carbamate
SMILESNC(=O)OC(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?/m0/s1
InChIKeySMKUPAZRXKBMCP-LBAUFKAWSA-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 [[(2S)-5-fluoro-2,3-dihydro-1H-inden-2-yl]-phenylmethyl] carbamate?
The IUPAC name of [[(2S)-5-fluoro-2,3-dihydro-1H-inden-2-yl]-phenylmethyl] carbamate (CID 67161006) is [[(2S)-5-fluoro-2,3-dihydro-1H-inden-2-yl]-phenylmethyl] carbamate.
What is the SMILES notation for [[(2S)-5-fluoro-2,3-dihydro-1H-inden-2-yl]-phenylmethyl] carbamate?
The canonical SMILES for [[(2S)-5-fluoro-2,3-dihydro-1H-inden-2-yl]-phenylmethyl] carbamate is NC(=O)OC(c1ccccc1)[C@H]1Cc2ccc(F)cc2C1.
What is the InChIKey of [[(2S)-5-fluoro-2,3-dihydro-1H-inden-2-yl]-phenylmethyl] carbamate?
The InChIKey is SMKUPAZRXKBMCP-LBAUFKAWSA-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?/m0/s1.
What are the key properties of [[(2S)-5-fluoro-2,3-dihydro-1H-inden-2-yl]-phenylmethyl] carbamate?
[[(2S)-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 [[(2S)-5-fluoro-2,3-dihydro-1H-inden-2-yl]-phenylmethyl] carbamate is sourced from PubChem (CID 67161006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).