tert-butyl N-(3-ethenyl-4-fluoro-5-methylphenyl)carbamate

C14H18FNO2 — CID 178053772

IUPACtert-butyl N-(3-ethenyl-4-fluoro-5-methylphenyl)carbamate
SMILESC=Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1F
InChIInChI=1S/C14H18FNO2/c1-6-10-8-11(7-9(2)12(10)15)16-13(17)18-14(3,4)5/h6-8H,1H2,2-5H3,(H,16,17)
InChIKeyCYYIGNHZZXPLKM-UHFFFAOYSA-N
MW251.30 g/mol
LogP4.12
Rot. Bonds2

About tert-butyl N-(3-ethenyl-4-fluoro-5-methylphenyl)carbamate

tert-butyl N-(3-ethenyl-4-fluoro-5-methylphenyl)carbamate (PubChem CID 178053772) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is tert-butyl N-(3-ethenyl-4-fluoro-5-methylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-ethenyl-4-fluoro-5-methylphenyl)carbamate
PubChem CID178053772
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Nametert-butyl N-(3-ethenyl-4-fluoro-5-methylphenyl)carbamate
SMILESC=Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1F
InChIInChI=1S/C14H18FNO2/c1-6-10-8-11(7-9(2)12(10)15)16-13(17)18-14(3,4)5/h6-8H,1H2,2-5H3,(H,16,17)
InChIKeyCYYIGNHZZXPLKM-UHFFFAOYSA-N
XLogP4.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
tert-butyl N-(4-formyl-3-methylphenyl)carbamate
CID 84797413
tert-butyl N-(4-chloro-3-fluoro-5-formylphenyl)carbamate
CID 84810125
tert-butyl N-(3,5-dimethylphenyl)carbamate;ethane
CID 143766104
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
5-bromo-2,3-difluorobenzaldehyde;tert-butyl N-(3,4-difluoro-5-formylphenyl)carbamate;methane
CID 159677446
5-bromo-2,3-difluorobenzaldehyde;tert-butyl N-(3,4-difluoro-5-formylphenyl)carbamate;methane
CID 159312123
2-amino-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 80688637
tert-butyl N-(2-fluoro-4-formyl-3,6-dimethylphenyl)carbamate
CID 84808075
CID 164562081
CID 164562081
tert-butyl N-[1-(3-chloro-4-fluoro-5-methylanilino)-1-oxopropan-2-yl]carbamate
CID 91297307
tert-butyl N-(7-methyl-2,3-dihydro-1H-indol-5-yl)carbamate
CID 117274564

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-ethenyl-4-fluoro-5-methylphenyl)carbamate?
The IUPAC name of tert-butyl N-(3-ethenyl-4-fluoro-5-methylphenyl)carbamate (CID 178053772) is tert-butyl N-(3-ethenyl-4-fluoro-5-methylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-ethenyl-4-fluoro-5-methylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(3-ethenyl-4-fluoro-5-methylphenyl)carbamate is C=Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1F.
What is the InChIKey of tert-butyl N-(3-ethenyl-4-fluoro-5-methylphenyl)carbamate?
The InChIKey is CYYIGNHZZXPLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-6-10-8-11(7-9(2)12(10)15)16-13(17)18-14(3,4)5/h6-8H,1H2,2-5H3,(H,16,17).
What are the key properties of tert-butyl N-(3-ethenyl-4-fluoro-5-methylphenyl)carbamate?
tert-butyl N-(3-ethenyl-4-fluoro-5-methylphenyl)carbamate has a molecular weight of 251.30 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-ethenyl-4-fluoro-5-methylphenyl)carbamate is sourced from PubChem (CID 178053772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).