2,2,3,3-tetrafluoropropyl N-ethylcarbamate

C6H9F4NO2 — CID 137320402

IUPAC2,2,3,3-tetrafluoropropyl N-ethylcarbamate
SMILESCCNC(=O)OCC(F)(F)C(F)F
InChIInChI=1S/C6H9F4NO2/c1-2-11-5(12)13-3-6(9,10)4(7)8/h4H,2-3H2,1H3,(H,11,12)
InChIKeyHXZIPKZEFQVJHB-UHFFFAOYSA-N
MW203.13 g/mol
LogP1.63
Rot. Bonds4

About 2,2,3,3-tetrafluoropropyl N-ethylcarbamate

2,2,3,3-tetrafluoropropyl N-ethylcarbamate (PubChem CID 137320402) has the molecular formula C6H9F4NO2 and a molecular weight of 203.13 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropropyl N-ethylcarbamate.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropropyl N-ethylcarbamate
PubChem CID137320402
Molecular FormulaC6H9F4NO2
Molecular Weight203.13 g/mol
Exact Mass203.06
IUPAC Name2,2,3,3-tetrafluoropropyl N-ethylcarbamate
SMILESCCNC(=O)OCC(F)(F)C(F)F
InChIInChI=1S/C6H9F4NO2/c1-2-11-5(12)13-3-6(9,10)4(7)8/h4H,2-3H2,1H3,(H,11,12)
InChIKeyHXZIPKZEFQVJHB-UHFFFAOYSA-N
XLogP1.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.13
LogP ≤ 51.63
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

1-O-ethyl 3-O-(2,2,3,3-tetrafluoropropyl) 2,2-diethylpropanedioate
CID 91734908
[3-(ethylcarbamoyloxy)-2-methylpropyl] N-ethylcarbamate
CID 58493133
(2-amino-2-methylbutyl) N-ethylcarbamate
CID 79337657
2,2,3,4,4,4-hexafluorobutyl N-hexylcarbamate
CID 88898261
methyl N-(2,2,3,3-tetrafluoropropyl)carbamate
CID 103528765
2,2,2-trifluoroethyl N-[2-(dimethylamino)propyl]carbamate
CID 60858888
[2,2-dimethyl-3-(methylamino)propyl] N-ethylcarbamate
CID 87800616
2-aminoethyl N-ethylcarbamate;2,2,2-trifluoroacetic acid
CID 146459167
azane;ethyl N-ethylcarbamate
CID 88547448
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl N-ethylcarbamate
CID 173413650
2,2-difluoroethyl 2,2,3,3-tetrafluoropropyl carbonate
CID 99769531
hydrazinyl N-ethylcarbamate
CID 54234991

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoropropyl N-ethylcarbamate?
The IUPAC name of 2,2,3,3-tetrafluoropropyl N-ethylcarbamate (CID 137320402) is 2,2,3,3-tetrafluoropropyl N-ethylcarbamate.
What is the SMILES notation for 2,2,3,3-tetrafluoropropyl N-ethylcarbamate?
The canonical SMILES for 2,2,3,3-tetrafluoropropyl N-ethylcarbamate is CCNC(=O)OCC(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoropropyl N-ethylcarbamate?
The InChIKey is HXZIPKZEFQVJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F4NO2/c1-2-11-5(12)13-3-6(9,10)4(7)8/h4H,2-3H2,1H3,(H,11,12).
What are the key properties of 2,2,3,3-tetrafluoropropyl N-ethylcarbamate?
2,2,3,3-tetrafluoropropyl N-ethylcarbamate has a molecular weight of 203.13 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoropropyl N-ethylcarbamate is sourced from PubChem (CID 137320402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).