ethyl N-[2-fluoro-6-(2-methylcyclopropen-1-yl)-4-(trifluoromethyl)phenyl]carbamate

C14H13F4NO2 — CID 163668189

IUPACethyl N-[2-fluoro-6-(2-methylcyclopropen-1-yl)-4-(trifluoromethyl)phenyl]carbamate
SMILESCCOC(=O)Nc1c(F)cc(C(F)(F)F)cc1C1=C(C)C1
InChIInChI=1S/C14H13F4NO2/c1-3-21-13(20)19-12-10(9-4-7(9)2)5-8(6-11(12)15)14(16,17)18/h5-6H,3-4H2,1-2H3,(H,19,20)
InChIKeyJAGIYUFXXXIQPQ-UHFFFAOYSA-N
MW303.26 g/mol
LogP4.59
Rot. Bonds3

About ethyl N-[2-fluoro-6-(2-methylcyclopropen-1-yl)-4-(trifluoromethyl)phenyl]carbamate

ethyl N-[2-fluoro-6-(2-methylcyclopropen-1-yl)-4-(trifluoromethyl)phenyl]carbamate (PubChem CID 163668189) has the molecular formula C14H13F4NO2 and a molecular weight of 303.26 g/mol. Its IUPAC name is ethyl N-[2-fluoro-6-(2-methylcyclopropen-1-yl)-4-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-fluoro-6-(2-methylcyclopropen-1-yl)-4-(trifluoromethyl)phenyl]carbamate
PubChem CID163668189
Molecular FormulaC14H13F4NO2
Molecular Weight303.26 g/mol
Exact Mass303.09
IUPAC Nameethyl N-[2-fluoro-6-(2-methylcyclopropen-1-yl)-4-(trifluoromethyl)phenyl]carbamate
SMILESCCOC(=O)Nc1c(F)cc(C(F)(F)F)cc1C1=C(C)C1
InChIInChI=1S/C14H13F4NO2/c1-3-21-13(20)19-12-10(9-4-7(9)2)5-8(6-11(12)15)14(16,17)18/h5-6H,3-4H2,1-2H3,(H,19,20)
InChIKeyJAGIYUFXXXIQPQ-UHFFFAOYSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 171470443
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2,2,2-trifluoroethyl N-(2,4,6-trimethylphenyl)carbamate
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ethyl N-[2-amino-3-fluoro-4-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamate
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ethanol;ethyl N-[4-(2-aminocyclopropyl)-2-fluoro-6-iodophenyl]carbamate
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CID 18315089
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ethyl N-(2,6-dibromo-4-methylphenyl)carbamate
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ethyl N-(5-bromo-2,4-difluorophenyl)carbamate
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propyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-fluoro-6-(2-methylcyclopropen-1-yl)-4-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of ethyl N-[2-fluoro-6-(2-methylcyclopropen-1-yl)-4-(trifluoromethyl)phenyl]carbamate (CID 163668189) is ethyl N-[2-fluoro-6-(2-methylcyclopropen-1-yl)-4-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[2-fluoro-6-(2-methylcyclopropen-1-yl)-4-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for ethyl N-[2-fluoro-6-(2-methylcyclopropen-1-yl)-4-(trifluoromethyl)phenyl]carbamate is CCOC(=O)Nc1c(F)cc(C(F)(F)F)cc1C1=C(C)C1.
What is the InChIKey of ethyl N-[2-fluoro-6-(2-methylcyclopropen-1-yl)-4-(trifluoromethyl)phenyl]carbamate?
The InChIKey is JAGIYUFXXXIQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4NO2/c1-3-21-13(20)19-12-10(9-4-7(9)2)5-8(6-11(12)15)14(16,17)18/h5-6H,3-4H2,1-2H3,(H,19,20).
What are the key properties of ethyl N-[2-fluoro-6-(2-methylcyclopropen-1-yl)-4-(trifluoromethyl)phenyl]carbamate?
ethyl N-[2-fluoro-6-(2-methylcyclopropen-1-yl)-4-(trifluoromethyl)phenyl]carbamate has a molecular weight of 303.26 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-fluoro-6-(2-methylcyclopropen-1-yl)-4-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 163668189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).