tert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate

C13H18FNO2 — CID 63787966

IUPACtert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C13H18FNO2/c1-9(10-6-5-7-11(14)8-10)15-12(16)17-13(2,3)4/h5-9H,1-4H3,(H,15,16)
InChIKeyRXGVSEFWGNLKCC-UHFFFAOYSA-N
MW239.29 g/mol
LogP3.41
Rot. Bonds2

About tert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate

tert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate (PubChem CID 63787966) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is tert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate
PubChem CID63787966
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Nametert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C13H18FNO2/c1-9(10-6-5-7-11(14)8-10)15-12(16)17-13(2,3)4/h5-9H,1-4H3,(H,15,16)
InChIKeyRXGVSEFWGNLKCC-UHFFFAOYSA-N
XLogP3.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate
CID 56955758
tert-butyl N-[1-[1-(3-fluorophenyl)ethylamino]butan-2-yl]carbamate
CID 107250672
tert-butyl N-[1-(4-fluorophenyl)ethyl]carbamate
CID 63787964
tert-butyl N-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propyl]carbamate
CID 103390485
tert-butyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate
CID 56955216
tert-butyl N-[(1S)-1-(4-bromo-3-fluorophenyl)ethyl]carbamate
CID 86730150
methyl 3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate
CID 154729915
tert-butyl N-[1-(3-acetamidophenyl)ethyl]carbamate
CID 63788679
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
(2R,3R)-3-(3-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2762301
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940549
tert-butyl N-[1-[3-[(Z)-C-chloro-N-hydroxycarbonimidoyl]phenyl]ethyl]carbamate
CID 58070451

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate (CID 63787966) is tert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate is CC(NC(=O)OC(C)(C)C)c1cccc(F)c1.
What is the InChIKey of tert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate?
The InChIKey is RXGVSEFWGNLKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9(10-6-5-7-11(14)8-10)15-12(16)17-13(2,3)4/h5-9H,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate?
tert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate has a molecular weight of 239.29 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate is sourced from PubChem (CID 63787966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).