tert-butyl N-[3-(2,3,5,6-tetrafluorophenyl)prop-2-enyl]carbamate

C14H15F4NO2 — CID 169467729

IUPACtert-butyl N-[3-(2,3,5,6-tetrafluorophenyl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C14H15F4NO2/c1-14(2,3)21-13(20)19-6-4-5-8-11(17)9(15)7-10(16)12(8)18/h4-5,7H,6H2,1-3H3,(H,19,20)
InChIKeyFVHMSSQIISSXON-UHFFFAOYSA-N
MW305.27 g/mol
LogP3.78
Rot. Bonds3

About tert-butyl N-[3-(2,3,5,6-tetrafluorophenyl)prop-2-enyl]carbamate

tert-butyl N-[3-(2,3,5,6-tetrafluorophenyl)prop-2-enyl]carbamate (PubChem CID 169467729) has the molecular formula C14H15F4NO2 and a molecular weight of 305.27 g/mol. Its IUPAC name is tert-butyl N-[3-(2,3,5,6-tetrafluorophenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2,3,5,6-tetrafluorophenyl)prop-2-enyl]carbamate
PubChem CID169467729
Molecular FormulaC14H15F4NO2
Molecular Weight305.27 g/mol
Exact Mass305.10
IUPAC Nametert-butyl N-[3-(2,3,5,6-tetrafluorophenyl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C14H15F4NO2/c1-14(2,3)21-13(20)19-6-4-5-8-11(17)9(15)7-10(16)12(8)18/h4-5,7H,6H2,1-3H3,(H,19,20)
InChIKeyFVHMSSQIISSXON-UHFFFAOYSA-N
XLogP3.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-(2,3,5,6-tetrafluorophenyl)but-3-enyl]carbamate
CID 170490689
tert-butyl N-[3-(4-bromo-2,6-difluorophenyl)prop-2-enyl]carbamate
CID 169468584
tert-butyl N-[3-(6-amino-2,3-difluorophenyl)prop-2-enyl]carbamate
CID 169467550
tert-butyl N-[3-(4-chloro-2-fluorophenyl)prop-2-enyl]carbamate
CID 169467051
tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate
CID 102440441
tert-butyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate
CID 169467818
tert-butyl N-[4-(2,3,6-trifluorophenyl)but-3-enyl]carbamate
CID 170490252
3-fluoro-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzoic acid
CID 169467743
tert-butyl N-[3-(5-bromo-2-fluorophenyl)prop-2-enyl]carbamate
CID 169468547
tert-butyl N-[2-(2,3,5,6-tetrafluoroanilino)ethyl]carbamate
CID 107644133
2-fluoro-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzoic acid
CID 169467747
tert-butyl N-[3-(5-fluoro-3-pyridinyl)prop-2-enyl]carbamate
CID 169466948

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2,3,5,6-tetrafluorophenyl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2,3,5,6-tetrafluorophenyl)prop-2-enyl]carbamate (CID 169467729) is tert-butyl N-[3-(2,3,5,6-tetrafluorophenyl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2,3,5,6-tetrafluorophenyl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2,3,5,6-tetrafluorophenyl)prop-2-enyl]carbamate is CC(C)(C)OC(=O)NCC=Cc1c(F)c(F)cc(F)c1F.
What is the InChIKey of tert-butyl N-[3-(2,3,5,6-tetrafluorophenyl)prop-2-enyl]carbamate?
The InChIKey is FVHMSSQIISSXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4NO2/c1-14(2,3)21-13(20)19-6-4-5-8-11(17)9(15)7-10(16)12(8)18/h4-5,7H,6H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[3-(2,3,5,6-tetrafluorophenyl)prop-2-enyl]carbamate?
tert-butyl N-[3-(2,3,5,6-tetrafluorophenyl)prop-2-enyl]carbamate has a molecular weight of 305.27 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2,3,5,6-tetrafluorophenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169467729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).