ethyl N-(3,3,4,4,7,7,8,8,8-nonafluorooctyl)carbamate

C11H14F9NO2 — CID 87121782

IUPACethyl N-(3,3,4,4,7,7,8,8,8-nonafluorooctyl)carbamate
SMILESCCOC(=O)NCCC(F)(F)C(F)(F)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C11H14F9NO2/c1-2-23-7(22)21-6-5-9(14,15)8(12,13)3-4-10(16,17)11(18,19)20/h2-6H2,1H3,(H,21,22)
InChIKeyFMNWIJXJASKDAD-UHFFFAOYSA-N
MW363.22 g/mol
LogP4.37
Rot. Bonds8

About ethyl N-(3,3,4,4,7,7,8,8,8-nonafluorooctyl)carbamate

ethyl N-(3,3,4,4,7,7,8,8,8-nonafluorooctyl)carbamate (PubChem CID 87121782) has the molecular formula C11H14F9NO2 and a molecular weight of 363.22 g/mol. Its IUPAC name is ethyl N-(3,3,4,4,7,7,8,8,8-nonafluorooctyl)carbamate.

Molecular Properties

Compound Nameethyl N-(3,3,4,4,7,7,8,8,8-nonafluorooctyl)carbamate
PubChem CID87121782
Molecular FormulaC11H14F9NO2
Molecular Weight363.22 g/mol
Exact Mass363.09
IUPAC Nameethyl N-(3,3,4,4,7,7,8,8,8-nonafluorooctyl)carbamate
SMILESCCOC(=O)NCCC(F)(F)C(F)(F)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C11H14F9NO2/c1-2-23-7(22)21-6-5-9(14,15)8(12,13)3-4-10(16,17)11(18,19)20/h2-6H2,1H3,(H,21,22)
InChIKeyFMNWIJXJASKDAD-UHFFFAOYSA-N
XLogP4.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(3,3,4,4,7,7,8,8,8-nonafluorooctyl)carbamate;2-methylprop-2-enoic acid
CID 87121781
ethyl N-(4,4,4-trifluorobutyl)carbamate
CID 79039127
ethyl N-propylcarbamate
CID 12199
ethyl N-[2-(methylamino)ethyl]carbamate
CID 20763174
ethyl N-(4,4,5,5-tetramethylhexyl)carbamate
CID 59093404
methyl 2,2,5,5,6,6,9,9,10,10,10-undecafluorodecanoate
CID 87161863
ethyl N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)carbamate
CID 3573557
2-hydroxy-2-methyl-N'-(3,3,4,4,4-pentafluorobutyl)propanediamide
CID 143546222
ethyl N-[3-(ethoxycarbonylamino)-2,2-bis[(ethoxycarbonylamino)methyl]propyl]carbamate
CID 87374449
ethyl N-[2-(ethoxycarbonylamino)ethoxy]carbamate
CID 71777323
2-methyl-3-oxo-3-(3,3,4,4,4-pentafluorobutylamino)propanoic acid
CID 21072497
azane;ethyl N-ethylcarbamate
CID 88547448

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3,3,4,4,7,7,8,8,8-nonafluorooctyl)carbamate?
The IUPAC name of ethyl N-(3,3,4,4,7,7,8,8,8-nonafluorooctyl)carbamate (CID 87121782) is ethyl N-(3,3,4,4,7,7,8,8,8-nonafluorooctyl)carbamate.
What is the SMILES notation for ethyl N-(3,3,4,4,7,7,8,8,8-nonafluorooctyl)carbamate?
The canonical SMILES for ethyl N-(3,3,4,4,7,7,8,8,8-nonafluorooctyl)carbamate is CCOC(=O)NCCC(F)(F)C(F)(F)CCC(F)(F)C(F)(F)F.
What is the InChIKey of ethyl N-(3,3,4,4,7,7,8,8,8-nonafluorooctyl)carbamate?
The InChIKey is FMNWIJXJASKDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F9NO2/c1-2-23-7(22)21-6-5-9(14,15)8(12,13)3-4-10(16,17)11(18,19)20/h2-6H2,1H3,(H,21,22).
What are the key properties of ethyl N-(3,3,4,4,7,7,8,8,8-nonafluorooctyl)carbamate?
ethyl N-(3,3,4,4,7,7,8,8,8-nonafluorooctyl)carbamate has a molecular weight of 363.22 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3,3,4,4,7,7,8,8,8-nonafluorooctyl)carbamate is sourced from PubChem (CID 87121782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).