1,1,2,2,3-pentafluoropropyl N-(2-methoxyethyl)-N-methylcarbamate

C8H12F5NO3 — CID 87169607

IUPAC1,1,2,2,3-pentafluoropropyl N-(2-methoxyethyl)-N-methylcarbamate
SMILESCOCCN(C)C(=O)OC(F)(F)C(F)(F)CF
InChIInChI=1S/C8H12F5NO3/c1-14(3-4-16-2)6(15)17-8(12,13)7(10,11)5-9/h3-5H2,1-2H3
InChIKeyLINIITUBELPSHH-UHFFFAOYSA-N
MW265.18 g/mol
LogP1.90
Rot. Bonds6

About 1,1,2,2,3-pentafluoropropyl N-(2-methoxyethyl)-N-methylcarbamate

1,1,2,2,3-pentafluoropropyl N-(2-methoxyethyl)-N-methylcarbamate (PubChem CID 87169607) has the molecular formula C8H12F5NO3 and a molecular weight of 265.18 g/mol. Its IUPAC name is 1,1,2,2,3-pentafluoropropyl N-(2-methoxyethyl)-N-methylcarbamate.

Molecular Properties

Compound Name1,1,2,2,3-pentafluoropropyl N-(2-methoxyethyl)-N-methylcarbamate
PubChem CID87169607
Molecular FormulaC8H12F5NO3
Molecular Weight265.18 g/mol
Exact Mass265.07
IUPAC Name1,1,2,2,3-pentafluoropropyl N-(2-methoxyethyl)-N-methylcarbamate
SMILESCOCCN(C)C(=O)OC(F)(F)C(F)(F)CF
InChIInChI=1S/C8H12F5NO3/c1-14(3-4-16-2)6(15)17-8(12,13)7(10,11)5-9/h3-5H2,1-2H3
InChIKeyLINIITUBELPSHH-UHFFFAOYSA-N
XLogP1.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethylcarbamic acid 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester
CID 118690318
ethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate
CID 60762863
2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-methylcarbamate
CID 61068007
2,2,2-trifluoroethyl N-ethyl-N-(2-methoxyethyl)carbamate
CID 61382655
2,2,2-trifluoroethyl N-ethyl-N-methylcarbamate
CID 62734680
2-fluoroethyl N-(2-methoxyethyl)-N-methylcarbamate
CID 87169653
1,1,2,2,3-pentafluoropropyl N-ethyl-N-(2-methoxyethyl)carbamate
CID 87169661
2,2,2-trifluoroethyl N-ethyl-N-(methoxymethyl)carbamate
CID 87169675
1,1,2,2,3-pentafluoropropyl N-ethyl-N-(methoxymethyl)carbamate
CID 87169678
1,1,1,2,3,3-hexafluoropropan-2-yl N-(2-methoxyethyl)-N-methylcarbamate
CID 87169744
1,1,1,2,3,3-hexafluoropropan-2-yl N-ethyl-N-(methoxymethyl)carbamate
CID 87169746
1,1,1,2,3,3-hexafluoropropan-2-yl N-ethyl-N-(2-methoxyethyl)carbamate
CID 87169750

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3-pentafluoropropyl N-(2-methoxyethyl)-N-methylcarbamate?
The IUPAC name of 1,1,2,2,3-pentafluoropropyl N-(2-methoxyethyl)-N-methylcarbamate (CID 87169607) is 1,1,2,2,3-pentafluoropropyl N-(2-methoxyethyl)-N-methylcarbamate.
What is the SMILES notation for 1,1,2,2,3-pentafluoropropyl N-(2-methoxyethyl)-N-methylcarbamate?
The canonical SMILES for 1,1,2,2,3-pentafluoropropyl N-(2-methoxyethyl)-N-methylcarbamate is COCCN(C)C(=O)OC(F)(F)C(F)(F)CF.
What is the InChIKey of 1,1,2,2,3-pentafluoropropyl N-(2-methoxyethyl)-N-methylcarbamate?
The InChIKey is LINIITUBELPSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F5NO3/c1-14(3-4-16-2)6(15)17-8(12,13)7(10,11)5-9/h3-5H2,1-2H3.
What are the key properties of 1,1,2,2,3-pentafluoropropyl N-(2-methoxyethyl)-N-methylcarbamate?
1,1,2,2,3-pentafluoropropyl N-(2-methoxyethyl)-N-methylcarbamate has a molecular weight of 265.18 g/mol, XLogP of 1.90, 6 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-(2-methoxyethyl)-N-methylcarbamate is sourced from PubChem (CID 87169607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).