[6-(2,3-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate

C17H15F2NO2 — CID 175568706

IUPAC[6-(2,3-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
SMILESNC(=O)OC1CCCc2cc(-c3cccc(F)c3F)ccc21
InChIInChI=1S/C17H15F2NO2/c18-14-5-2-4-13(16(14)19)11-7-8-12-10(9-11)3-1-6-15(12)22-17(20)21/h2,4-5,7-9,15H,1,3,6H2,(H2,20,21)
InChIKeyYJPKXTQQSHOAAM-UHFFFAOYSA-N
MW303.31 g/mol
LogP4.10
Rot. Bonds2

About [6-(2,3-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate

[6-(2,3-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate (PubChem CID 175568706) has the molecular formula C17H15F2NO2 and a molecular weight of 303.31 g/mol. Its IUPAC name is [6-(2,3-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate.

Molecular Properties

Compound Name[6-(2,3-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
PubChem CID175568706
Molecular FormulaC17H15F2NO2
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name[6-(2,3-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
SMILESNC(=O)OC1CCCc2cc(-c3cccc(F)c3F)ccc21
InChIInChI=1S/C17H15F2NO2/c18-14-5-2-4-13(16(14)19)11-7-8-12-10(9-11)3-1-6-15(12)22-17(20)21/h2,4-5,7-9,15H,1,3,6H2,(H2,20,21)
InChIKeyYJPKXTQQSHOAAM-UHFFFAOYSA-N
XLogP4.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 54.10
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-(2-methoxyethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568722
[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
[5-(3,5-difluorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate
CID 175296693
[7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568823
1,2,3,4-tetrahydronaphthalen-1-yl 2-amino-3-fluorobenzoate
CID 81498717
[6-(2-fluorophenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate
CID 175568714
1,2,3,4-tetrahydronaphthalen-1-yl 3-amino-4-fluorobenzoate
CID 61279911
[6-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate
CID 175296823
1,2,3,4-tetrahydronaphthalen-1-yl 3-aminopyridine-2-carboxylate
CID 103993279
4-(2,3-difluorophenyl)-2-fluorobenzoic acid
CID 53225927

Frequently Asked Questions

What is the IUPAC name of [6-(2,3-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate?
The IUPAC name of [6-(2,3-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate (CID 175568706) is [6-(2,3-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate.
What is the SMILES notation for [6-(2,3-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate?
The canonical SMILES for [6-(2,3-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate is NC(=O)OC1CCCc2cc(-c3cccc(F)c3F)ccc21.
What is the InChIKey of [6-(2,3-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate?
The InChIKey is YJPKXTQQSHOAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO2/c18-14-5-2-4-13(16(14)19)11-7-8-12-10(9-11)3-1-6-15(12)22-17(20)21/h2,4-5,7-9,15H,1,3,6H2,(H2,20,21).
What are the key properties of [6-(2,3-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate?
[6-(2,3-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate has a molecular weight of 303.31 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,3-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate is sourced from PubChem (CID 175568706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).