tert-butyl N-[2-fluoro-2-[4-(nitrosomethyl)phenyl]ethyl]carbamate

C14H19FN2O3 — CID 123711266

IUPACtert-butyl N-[2-fluoro-2-[4-(nitrosomethyl)phenyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(F)c1ccc(CN=O)cc1
InChIInChI=1S/C14H19FN2O3/c1-14(2,3)20-13(18)16-9-12(15)11-6-4-10(5-7-11)8-17-19/h4-7,12H,8-9H2,1-3H3,(H,16,18)
InChIKeySHXIBYCGQOVBSH-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.49
Rot. Bonds5

About tert-butyl N-[2-fluoro-2-[4-(nitrosomethyl)phenyl]ethyl]carbamate

tert-butyl N-[2-fluoro-2-[4-(nitrosomethyl)phenyl]ethyl]carbamate (PubChem CID 123711266) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is tert-butyl N-[2-fluoro-2-[4-(nitrosomethyl)phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-fluoro-2-[4-(nitrosomethyl)phenyl]ethyl]carbamate
PubChem CID123711266
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Nametert-butyl N-[2-fluoro-2-[4-(nitrosomethyl)phenyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(F)c1ccc(CN=O)cc1
InChIInChI=1S/C14H19FN2O3/c1-14(2,3)20-13(18)16-9-12(15)11-6-4-10(5-7-11)8-17-19/h4-7,12H,8-9H2,1-3H3,(H,16,18)
InChIKeySHXIBYCGQOVBSH-UHFFFAOYSA-N
XLogP3.49
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[[4-(difluoromethyl)phenyl]methylamino]propyl]carbamate
CID 107248199
methyl 2-[4-(aminomethyl)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 176719173
tert-butyl N-[(E)-4-[[4-(difluoromethyl)phenyl]methylamino]but-2-enyl]carbamate
CID 107253306
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774
tert-butyl N-(2-chloro-2-nitrosoethyl)carbamate
CID 91269741
tert-butyl N-[2-fluoro-2-(3-nitrophenyl)ethyl]carbamate
CID 175061455
tert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate
CID 174316953
tert-butyl N-[3-[4-(dimethylamino)phenyl]-2,3-dihydroxypropyl]carbamate
CID 170832177
methyl 2-[4-(hydroxymethyl)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 66599860
tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate
CID 129383215
tert-butyl N-[[4-(isothiocyanatomethyl)phenyl]methyl]carbamate
CID 10850230
tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]butyl]carbamate
CID 107250837

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-fluoro-2-[4-(nitrosomethyl)phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-fluoro-2-[4-(nitrosomethyl)phenyl]ethyl]carbamate (CID 123711266) is tert-butyl N-[2-fluoro-2-[4-(nitrosomethyl)phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-fluoro-2-[4-(nitrosomethyl)phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-fluoro-2-[4-(nitrosomethyl)phenyl]ethyl]carbamate is CC(C)(C)OC(=O)NCC(F)c1ccc(CN=O)cc1.
What is the InChIKey of tert-butyl N-[2-fluoro-2-[4-(nitrosomethyl)phenyl]ethyl]carbamate?
The InChIKey is SHXIBYCGQOVBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-14(2,3)20-13(18)16-9-12(15)11-6-4-10(5-7-11)8-17-19/h4-7,12H,8-9H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[2-fluoro-2-[4-(nitrosomethyl)phenyl]ethyl]carbamate?
tert-butyl N-[2-fluoro-2-[4-(nitrosomethyl)phenyl]ethyl]carbamate has a molecular weight of 282.31 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-fluoro-2-[4-(nitrosomethyl)phenyl]ethyl]carbamate is sourced from PubChem (CID 123711266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).