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

C17H16FNO2 — CID 67160202

IUPAC[2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)phenyl]methyl carbamate
SMILESNC(=O)OCc1ccccc1C1Cc2ccc(F)cc2C1
InChIInChI=1S/C17H16FNO2/c18-15-6-5-11-7-14(8-13(11)9-15)16-4-2-1-3-12(16)10-21-17(19)20/h1-6,9,14H,7-8,10H2,(H2,19,20)
InChIKeyFLHDKSIGZSOFEY-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.30
Rot. Bonds3

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

[2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)phenyl]methyl carbamate (PubChem CID 67160202) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is [2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)phenyl]methyl carbamate.

Molecular Properties

Compound Name[2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)phenyl]methyl carbamate
PubChem CID67160202
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name[2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)phenyl]methyl carbamate
SMILESNC(=O)OCc1ccccc1C1Cc2ccc(F)cc2C1
InChIInChI=1S/C17H16FNO2/c18-15-6-5-11-7-14(8-13(11)9-15)16-4-2-1-3-12(16)10-21-17(19)20/h1-6,9,14H,7-8,10H2,(H2,19,20)
InChIKeyFLHDKSIGZSOFEY-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)phenyl]methyl carbamate?
The IUPAC name of [2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)phenyl]methyl carbamate (CID 67160202) is [2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)phenyl]methyl carbamate.
What is the SMILES notation for [2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)phenyl]methyl carbamate?
The canonical SMILES for [2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)phenyl]methyl carbamate is NC(=O)OCc1ccccc1C1Cc2ccc(F)cc2C1.
What is the InChIKey of [2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)phenyl]methyl carbamate?
The InChIKey is FLHDKSIGZSOFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c18-15-6-5-11-7-14(8-13(11)9-15)16-4-2-1-3-12(16)10-21-17(19)20/h1-6,9,14H,7-8,10H2,(H2,19,20).
What are the key properties of [2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)phenyl]methyl carbamate?
[2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)phenyl]methyl carbamate has a molecular weight of 285.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)phenyl]methyl carbamate is sourced from PubChem (CID 67160202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).