[(1S,2R)-1-carbamoyloxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate

C12H13FN2O4 — CID 134294908

IUPAC[(1S,2R)-1-carbamoyloxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate
SMILESNC(=O)O[C@@H]1CCc2cccc(F)c2[C@@H]1OC(N)=O
InChIInChI=1S/C12H13FN2O4/c13-7-3-1-2-6-4-5-8(18-11(14)16)10(9(6)7)19-12(15)17/h1-3,8,10H,4-5H2,(H2,14,16)(H2,15,17)/t8-,10-/m1/s1
InChIKeyXQMSTSCQSCAKQG-PSASIEDQSA-N
MW268.24 g/mol
LogP1.37
Rot. Bonds2

About [(1S,2R)-1-carbamoyloxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate

[(1S,2R)-1-carbamoyloxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate (PubChem CID 134294908) has the molecular formula C12H13FN2O4 and a molecular weight of 268.24 g/mol. Its IUPAC name is [(1S,2R)-1-carbamoyloxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate.

Molecular Properties

Compound Name[(1S,2R)-1-carbamoyloxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate
PubChem CID134294908
Molecular FormulaC12H13FN2O4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name[(1S,2R)-1-carbamoyloxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate
SMILESNC(=O)O[C@@H]1CCc2cccc(F)c2[C@@H]1OC(N)=O
InChIInChI=1S/C12H13FN2O4/c13-7-3-1-2-6-4-5-8(18-11(14)16)10(9(6)7)19-12(15)17/h1-3,8,10H,4-5H2,(H2,14,16)(H2,15,17)/t8-,10-/m1/s1
InChIKeyXQMSTSCQSCAKQG-PSASIEDQSA-N
XLogP1.37
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,2S)-7-fluoro-1-(methoxymethoxy)-2,3-dihydro-1H-inden-2-yl] carbamate
CID 134294948
7-fluoro-2,3-dihydro-1H-inden-1-amine
CID 58440160
[(1R,2R)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate
CID 140845775
8-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115056927
(1S)-7-fluoro-1-methyl-2,3-dihydro-1H-indene
CID 89205877
2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid
CID 105479060
8-fluoro-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 105447942
[(1S,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate
CID 134294881
[(1R,2S)-7-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl] carbamate
CID 134294937
2-(7-fluoro-2,3-dihydro-1H-inden-1-yl)propan-2-yl 2-methylprop-2-enoate
CID 89474733
[6-(2,3-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568706
[(1R,2S)-1-carbamoyloxy-5,7-dichloro-2,3-dihydro-1H-inden-2-yl] carbamate
CID 134294957

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-1-carbamoyloxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate?
The IUPAC name of [(1S,2R)-1-carbamoyloxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate (CID 134294908) is [(1S,2R)-1-carbamoyloxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate.
What is the SMILES notation for [(1S,2R)-1-carbamoyloxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate?
The canonical SMILES for [(1S,2R)-1-carbamoyloxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate is NC(=O)O[C@@H]1CCc2cccc(F)c2[C@@H]1OC(N)=O.
What is the InChIKey of [(1S,2R)-1-carbamoyloxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate?
The InChIKey is XQMSTSCQSCAKQG-PSASIEDQSA-N. The full InChI is InChI=1S/C12H13FN2O4/c13-7-3-1-2-6-4-5-8(18-11(14)16)10(9(6)7)19-12(15)17/h1-3,8,10H,4-5H2,(H2,14,16)(H2,15,17)/t8-,10-/m1/s1.
What are the key properties of [(1S,2R)-1-carbamoyloxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate?
[(1S,2R)-1-carbamoyloxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate has a molecular weight of 268.24 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-1-carbamoyloxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate is sourced from PubChem (CID 134294908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).