tert-butyl N-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate

C15H19F2NO2 — CID 134337615

IUPACtert-butyl N-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCc2c(F)cc(F)cc21
InChIInChI=1S/C15H19F2NO2/c1-15(2,3)20-14(19)18-13-6-4-5-10-11(13)7-9(16)8-12(10)17/h7-8,13H,4-6H2,1-3H3,(H,18,19)
InChIKeyQUDICYZYKAHRFH-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.87
Rot. Bonds1

About tert-butyl N-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate

tert-butyl N-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate (PubChem CID 134337615) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is tert-butyl N-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
PubChem CID134337615
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Nametert-butyl N-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCc2c(F)cc(F)cc21
InChIInChI=1S/C15H19F2NO2/c1-15(2,3)20-14(19)18-13-6-4-5-10-11(13)7-9(16)8-12(10)17/h7-8,13H,4-6H2,1-3H3,(H,18,19)
InChIKeyQUDICYZYKAHRFH-UHFFFAOYSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)carbamate
CID 63790273
tert-butyl N-[(1S)-2-(difluoromethylidene)cyclopentyl]carbamate
CID 129026517
tert-butyl N-[(1R)-7-amino-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate;tert-butyl N-[(1S)-7-amino-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate;tert-butyl N-(7-amino-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
CID 158735522
(5R)-5-amino-3-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol;tert-butyl N-[(5R)-3-fluoro-2-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]carbamate
CID 159602495
4-[[(1S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid
CID 122034893
tert-butyl N-[(1R)-5-[5-[(5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 164817450
tert-butyl N-[(1R)-6,7-difluoro-1,2-dihydronaphthalen-1-yl]carbamate
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tert-butyl N-[(1R)-5-[(Z)-N'-hydroxycarbamimidoyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 140565327
tert-butyl N-[(1R)-5-(N'-hydroxycarbamimidoyl)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 123394794
tert-butyl N-(5,6,7,8-tetrahydroquinolin-5-yl)carbamate
CID 121334667
tert-butyl N-[(1S)-6-[(1R)-1-hydroxyethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
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1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 19433660

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate?
The IUPAC name of tert-butyl N-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate (CID 134337615) is tert-butyl N-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate is CC(C)(C)OC(=O)NC1CCCc2c(F)cc(F)cc21.
What is the InChIKey of tert-butyl N-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate?
The InChIKey is QUDICYZYKAHRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-15(2,3)20-14(19)18-13-6-4-5-10-11(13)7-9(16)8-12(10)17/h7-8,13H,4-6H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate?
tert-butyl N-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate has a molecular weight of 283.32 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate is sourced from PubChem (CID 134337615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).