1,1,2,2,3-pentafluoropropyl N-ethyl-N-(2-methoxyethyl)carbamate

C9H14F5NO3 — CID 87169661

IUPAC1,1,2,2,3-pentafluoropropyl N-ethyl-N-(2-methoxyethyl)carbamate
SMILESCCN(CCOC)C(=O)OC(F)(F)C(F)(F)CF
InChIInChI=1S/C9H14F5NO3/c1-3-15(4-5-17-2)7(16)18-9(13,14)8(11,12)6-10/h3-6H2,1-2H3
InChIKeyUNKSLOBTVAFWAK-UHFFFAOYSA-N
MW279.20 g/mol
LogP2.29
Rot. Bonds7

About 1,1,2,2,3-pentafluoropropyl N-ethyl-N-(2-methoxyethyl)carbamate

1,1,2,2,3-pentafluoropropyl N-ethyl-N-(2-methoxyethyl)carbamate (PubChem CID 87169661) has the molecular formula C9H14F5NO3 and a molecular weight of 279.20 g/mol. Its IUPAC name is 1,1,2,2,3-pentafluoropropyl N-ethyl-N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Name1,1,2,2,3-pentafluoropropyl N-ethyl-N-(2-methoxyethyl)carbamate
PubChem CID87169661
Molecular FormulaC9H14F5NO3
Molecular Weight279.20 g/mol
Exact Mass279.09
IUPAC Name1,1,2,2,3-pentafluoropropyl N-ethyl-N-(2-methoxyethyl)carbamate
SMILESCCN(CCOC)C(=O)OC(F)(F)C(F)(F)CF
InChIInChI=1S/C9H14F5NO3/c1-3-15(4-5-17-2)7(16)18-9(13,14)8(11,12)6-10/h3-6H2,1-2H3
InChIKeyUNKSLOBTVAFWAK-UHFFFAOYSA-N
XLogP2.29
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.20
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3-pentafluoropropyl N-ethyl-N-(2-methoxyethyl)carbamate?
The IUPAC name of 1,1,2,2,3-pentafluoropropyl N-ethyl-N-(2-methoxyethyl)carbamate (CID 87169661) is 1,1,2,2,3-pentafluoropropyl N-ethyl-N-(2-methoxyethyl)carbamate.
What is the SMILES notation for 1,1,2,2,3-pentafluoropropyl N-ethyl-N-(2-methoxyethyl)carbamate?
The canonical SMILES for 1,1,2,2,3-pentafluoropropyl N-ethyl-N-(2-methoxyethyl)carbamate is CCN(CCOC)C(=O)OC(F)(F)C(F)(F)CF.
What is the InChIKey of 1,1,2,2,3-pentafluoropropyl N-ethyl-N-(2-methoxyethyl)carbamate?
The InChIKey is UNKSLOBTVAFWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F5NO3/c1-3-15(4-5-17-2)7(16)18-9(13,14)8(11,12)6-10/h3-6H2,1-2H3.
What are the key properties of 1,1,2,2,3-pentafluoropropyl N-ethyl-N-(2-methoxyethyl)carbamate?
1,1,2,2,3-pentafluoropropyl N-ethyl-N-(2-methoxyethyl)carbamate has a molecular weight of 279.20 g/mol, XLogP of 2.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3-pentafluoropropyl N-ethyl-N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 87169661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).