tert-butyl N-[1-(2-ethyl-3,5-difluorophenyl)ethyl]carbamate

C15H21F2NO2 — CID 118337488

IUPACtert-butyl N-[1-(2-ethyl-3,5-difluorophenyl)ethyl]carbamate
SMILESCCc1c(F)cc(F)cc1C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H21F2NO2/c1-6-11-12(7-10(16)8-13(11)17)9(2)18-14(19)20-15(3,4)5/h7-9H,6H2,1-5H3,(H,18,19)
InChIKeyCSQBHNQUYDQXQB-UHFFFAOYSA-N
MW285.33 g/mol
LogP4.11
Rot. Bonds3

About tert-butyl N-[1-(2-ethyl-3,5-difluorophenyl)ethyl]carbamate

tert-butyl N-[1-(2-ethyl-3,5-difluorophenyl)ethyl]carbamate (PubChem CID 118337488) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is tert-butyl N-[1-(2-ethyl-3,5-difluorophenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-ethyl-3,5-difluorophenyl)ethyl]carbamate
PubChem CID118337488
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Nametert-butyl N-[1-(2-ethyl-3,5-difluorophenyl)ethyl]carbamate
SMILESCCc1c(F)cc(F)cc1C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H21F2NO2/c1-6-11-12(7-10(16)8-13(11)17)9(2)18-14(19)20-15(3,4)5/h7-9H,6H2,1-5H3,(H,18,19)
InChIKeyCSQBHNQUYDQXQB-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[1-(2,5-difluorophenyl)ethyl]carbamate
CID 63787990
tert-butyl N-[(1R)-1-(3-bromo-2,5-difluorophenyl)ethyl]carbamate
CID 162452517
3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,3,5-trifluorophenyl)propanoic acid
CID 138111201
[3-fluoro-4-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]boronic acid
CID 70851199
tert-butyl N-[1-(4-fluorophenyl)ethyl]carbamate
CID 63787964
tert-butyl N-[1-(3,5-difluorophenyl)propyl]carbamate
CID 123415013
tert-butyl N-[(1S)-1-(4-bromo-3-fluorophenyl)ethyl]carbamate
CID 86730150
tert-butyl N-[3-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]carbamate
CID 9225218
ethyl 2-[5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-yl]acetate
CID 175187405
tert-butyl N-[1-(2,4-difluoro-6-phenylmethoxyphenyl)ethyl]carbamate
CID 118337834
tert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate
CID 63787966
tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate
CID 63789405

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-ethyl-3,5-difluorophenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-ethyl-3,5-difluorophenyl)ethyl]carbamate (CID 118337488) is tert-butyl N-[1-(2-ethyl-3,5-difluorophenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-ethyl-3,5-difluorophenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-ethyl-3,5-difluorophenyl)ethyl]carbamate is CCc1c(F)cc(F)cc1C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(2-ethyl-3,5-difluorophenyl)ethyl]carbamate?
The InChIKey is CSQBHNQUYDQXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-6-11-12(7-10(16)8-13(11)17)9(2)18-14(19)20-15(3,4)5/h7-9H,6H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[1-(2-ethyl-3,5-difluorophenyl)ethyl]carbamate?
tert-butyl N-[1-(2-ethyl-3,5-difluorophenyl)ethyl]carbamate has a molecular weight of 285.33 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-ethyl-3,5-difluorophenyl)ethyl]carbamate is sourced from PubChem (CID 118337488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).