[5-(3,5-difluorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate

C16H13F2NO2 — CID 175296693

IUPAC[5-(3,5-difluorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate
SMILESNC(=O)OC1CCc2cc(-c3cc(F)cc(F)c3)ccc21
InChIInChI=1S/C16H13F2NO2/c17-12-6-11(7-13(18)8-12)9-1-3-14-10(5-9)2-4-15(14)21-16(19)20/h1,3,5-8,15H,2,4H2,(H2,19,20)
InChIKeyVHUDTSDAKBLAOJ-UHFFFAOYSA-N
MW289.28 g/mol
LogP3.71
Rot. Bonds2

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

[5-(3,5-difluorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate (PubChem CID 175296693) has the molecular formula C16H13F2NO2 and a molecular weight of 289.28 g/mol. Its IUPAC name is [5-(3,5-difluorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate.

Molecular Properties

Compound Name[5-(3,5-difluorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate
PubChem CID175296693
Molecular FormulaC16H13F2NO2
Molecular Weight289.28 g/mol
Exact Mass289.09
IUPAC Name[5-(3,5-difluorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate
SMILESNC(=O)OC1CCc2cc(-c3cc(F)cc(F)c3)ccc21
InChIInChI=1S/C16H13F2NO2/c17-12-6-11(7-13(18)8-12)9-1-3-14-10(5-9)2-4-15(14)21-16(19)20/h1,3,5-8,15H,2,4H2,(H2,19,20)
InChIKeyVHUDTSDAKBLAOJ-UHFFFAOYSA-N
XLogP3.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[6-(2,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568957
[6-(2,3-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568706
[6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568925
[6-(3-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568904
[7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175253063
[6-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-1-yl] carbamate
CID 175296578
(5-fluoro-2,3-dihydro-1H-inden-1-yl) 5-carbamoyl-2-fluorobenzoate
CID 167790119
[5-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate
CID 138745030
[6-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate
CID 175296823
[7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568823
[6-[2-(2-methoxyethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568722
6-(3,5-difluorophenyl)-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 142035350

Frequently Asked Questions

What is the IUPAC name of [5-(3,5-difluorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate?
The IUPAC name of [5-(3,5-difluorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate (CID 175296693) is [5-(3,5-difluorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate.
What is the SMILES notation for [5-(3,5-difluorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate?
The canonical SMILES for [5-(3,5-difluorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate is NC(=O)OC1CCc2cc(-c3cc(F)cc(F)c3)ccc21.
What is the InChIKey of [5-(3,5-difluorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate?
The InChIKey is VHUDTSDAKBLAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO2/c17-12-6-11(7-13(18)8-12)9-1-3-14-10(5-9)2-4-15(14)21-16(19)20/h1,3,5-8,15H,2,4H2,(H2,19,20).
What are the key properties of [5-(3,5-difluorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate?
[5-(3,5-difluorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate has a molecular weight of 289.28 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-difluorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate is sourced from PubChem (CID 175296693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).