2,2,3,3,3-pentafluoropropyl N-methylcarbamate

C5H6F5NO2 — CID 141285838

IUPAC2,2,3,3,3-pentafluoropropyl N-methylcarbamate
SMILESCNC(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F5NO2/c1-11-3(12)13-2-4(6,7)5(8,9)10/h2H2,1H3,(H,11,12)
InChIKeyPZAJQKNUKBQXAR-UHFFFAOYSA-N
MW207.10 g/mol
LogP1.54
Rot. Bonds2

About 2,2,3,3,3-pentafluoropropyl N-methylcarbamate

2,2,3,3,3-pentafluoropropyl N-methylcarbamate (PubChem CID 141285838) has the molecular formula C5H6F5NO2 and a molecular weight of 207.10 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropyl N-methylcarbamate.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropyl N-methylcarbamate
PubChem CID141285838
Molecular FormulaC5H6F5NO2
Molecular Weight207.10 g/mol
Exact Mass207.03
IUPAC Name2,2,3,3,3-pentafluoropropyl N-methylcarbamate
SMILESCNC(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F5NO2/c1-11-3(12)13-2-4(6,7)5(8,9)10/h2H2,1H3,(H,11,12)
InChIKeyPZAJQKNUKBQXAR-UHFFFAOYSA-N
XLogP1.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.10
LogP ≤ 51.54
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

2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)carbamate
CID 141285834
2,2-bis(methylcarbamoyloxymethyl)butyl N-methylcarbamate
CID 59137176
2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroacetate
CID 23155340
2-(methylcarbamoyloxy)ethyl 2,2,2-trifluoroacetate
CID 146363866
ethyl N-methylcarbamate;2,2,2-trifluoroacetic acid
CID 172727391
2,2,3,3,3-pentafluoropropyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl carbonate
CID 99769571
5-(methylcarbamoyloxy)pentyl N-methylcarbamate
CID 59800394
2,2-bis(hydroxymethyl)butyl N-methylcarbamate
CID 87800548
2,2,3,3,3-pentafluoropropyl 2,2-dimethylbutanoate
CID 59693462
[2-(carbamoyloxymethyl)-2-(methylcarbamoyloxymethyl)butyl] N-methylcarbamate;ethane
CID 171636121
[2-(methylcarbamoyloxymethyl)-2-(methylidenecarbamoyloxymethyl)butyl] N-methylcarbamate
CID 130427850
iodomethyl N-methylcarbamate
CID 88927146

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoropropyl N-methylcarbamate?
The IUPAC name of 2,2,3,3,3-pentafluoropropyl N-methylcarbamate (CID 141285838) is 2,2,3,3,3-pentafluoropropyl N-methylcarbamate.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropyl N-methylcarbamate?
The canonical SMILES for 2,2,3,3,3-pentafluoropropyl N-methylcarbamate is CNC(=O)OCC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropyl N-methylcarbamate?
The InChIKey is PZAJQKNUKBQXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F5NO2/c1-11-3(12)13-2-4(6,7)5(8,9)10/h2H2,1H3,(H,11,12).
What are the key properties of 2,2,3,3,3-pentafluoropropyl N-methylcarbamate?
2,2,3,3,3-pentafluoropropyl N-methylcarbamate has a molecular weight of 207.10 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropyl N-methylcarbamate is sourced from PubChem (CID 141285838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).