tert-butyl N-(2-ethyl-6-fluorophenyl)carbamate

C13H18FNO2 — CID 153485690

IUPACtert-butyl N-(2-ethyl-6-fluorophenyl)carbamate
SMILESCCc1cccc(F)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H18FNO2/c1-5-9-7-6-8-10(14)11(9)15-12(16)17-13(2,3)4/h6-8H,5H2,1-4H3,(H,15,16)
InChIKeyOUJWYENDFBPDPR-UHFFFAOYSA-N
MW239.29 g/mol
LogP3.74
Rot. Bonds2

About tert-butyl N-(2-ethyl-6-fluorophenyl)carbamate

tert-butyl N-(2-ethyl-6-fluorophenyl)carbamate (PubChem CID 153485690) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is tert-butyl N-(2-ethyl-6-fluorophenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-ethyl-6-fluorophenyl)carbamate
PubChem CID153485690
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Nametert-butyl N-(2-ethyl-6-fluorophenyl)carbamate
SMILESCCc1cccc(F)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H18FNO2/c1-5-9-7-6-8-10(14)11(9)15-12(16)17-13(2,3)4/h6-8H,5H2,1-4H3,(H,15,16)
InChIKeyOUJWYENDFBPDPR-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(2-amino-6-fluorophenyl)carbamate
CID 10082408
tert-butyl N-[2-fluoro-6-(2-methylpropanoyl)phenyl]carbamate
CID 11242993
[3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]boronic acid
CID 142785528
tert-butyl N-[2-(2,6-diethylanilino)-2-oxoethyl]carbamate
CID 112997331
methyl 3-[3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]propanoate
CID 175150154
N-(2,6-diethylphenyl)-2-(2,6-difluoroanilino)acetamide
CID 109008077
2-ethyl-6-fluoro-N-methylaniline
CID 22769633
tert-butyl N-[2-[(2,6-difluorophenyl)carbamothioylamino]ethyl]carbamate
CID 84554082
tert-butyl N-[2-[[(1-benzylpiperidin-4-yl)amino]methyl]-6-fluorophenyl]carbamate
CID 59424374
tert-butyl N-(3,6-difluoro-2-formylphenyl)carbamate
CID 118996744
2-[3-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 165494210
tert-butyl 4-(2,6-difluoroanilino)-4-oxobutanoate
CID 106707000

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-ethyl-6-fluorophenyl)carbamate?
The IUPAC name of tert-butyl N-(2-ethyl-6-fluorophenyl)carbamate (CID 153485690) is tert-butyl N-(2-ethyl-6-fluorophenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-ethyl-6-fluorophenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-ethyl-6-fluorophenyl)carbamate is CCc1cccc(F)c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-ethyl-6-fluorophenyl)carbamate?
The InChIKey is OUJWYENDFBPDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-5-9-7-6-8-10(14)11(9)15-12(16)17-13(2,3)4/h6-8H,5H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-(2-ethyl-6-fluorophenyl)carbamate?
tert-butyl N-(2-ethyl-6-fluorophenyl)carbamate has a molecular weight of 239.29 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-ethyl-6-fluorophenyl)carbamate is sourced from PubChem (CID 153485690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).