1,1,1,2,3,3-hexafluoropropan-2-yl N-(2-methoxyethyl)-N-methylcarbamate

C8H11F6NO3 — CID 87169744

IUPAC1,1,1,2,3,3-hexafluoropropan-2-yl N-(2-methoxyethyl)-N-methylcarbamate
SMILESCOCCN(C)C(=O)OC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6NO3/c1-15(3-4-17-2)6(16)18-7(11,5(9)10)8(12,13)14/h5H,3-4H2,1-2H3
InChIKeySCZROYCPSAATIZ-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.19
Rot. Bonds5

About 1,1,1,2,3,3-hexafluoropropan-2-yl N-(2-methoxyethyl)-N-methylcarbamate

1,1,1,2,3,3-hexafluoropropan-2-yl N-(2-methoxyethyl)-N-methylcarbamate (PubChem CID 87169744) has the molecular formula C8H11F6NO3 and a molecular weight of 283.17 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoropropan-2-yl N-(2-methoxyethyl)-N-methylcarbamate.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoropropan-2-yl N-(2-methoxyethyl)-N-methylcarbamate
PubChem CID87169744
Molecular FormulaC8H11F6NO3
Molecular Weight283.17 g/mol
Exact Mass283.06
IUPAC Name1,1,1,2,3,3-hexafluoropropan-2-yl N-(2-methoxyethyl)-N-methylcarbamate
SMILESCOCCN(C)C(=O)OC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6NO3/c1-15(3-4-17-2)6(16)18-7(11,5(9)10)8(12,13)14/h5H,3-4H2,1-2H3
InChIKeySCZROYCPSAATIZ-UHFFFAOYSA-N
XLogP2.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Diethylcarbamic acid 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester
CID 118690318
2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-methylcarbamate
CID 61068007
2,2,2-trifluoroethyl N-ethyl-N-(2-methoxyethyl)carbamate
CID 61382655
1,1,2,2,3-pentafluoropropyl N-(2-methoxyethyl)-N-methylcarbamate
CID 87169607
2-fluoroethyl N-(2-methoxyethyl)-N-methylcarbamate
CID 87169653
1,1,2,2,3-pentafluoropropyl N-ethyl-N-(2-methoxyethyl)carbamate
CID 87169661
1,1,2,2,3-pentafluoropropyl N-ethyl-N-(methoxymethyl)carbamate
CID 87169678
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
propan-2-yl N-methyl-N-(2,2,2-trifluoroethyl)carbamate
CID 116654410
Propan-2-yl 3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylate
CID 123161717
1,1,1,3,3,3-hexafluoropropan-2-yl N-ethyl-N-methylcarbamate
CID 123582688

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoropropan-2-yl N-(2-methoxyethyl)-N-methylcarbamate?
The IUPAC name of 1,1,1,2,3,3-hexafluoropropan-2-yl N-(2-methoxyethyl)-N-methylcarbamate (CID 87169744) is 1,1,1,2,3,3-hexafluoropropan-2-yl N-(2-methoxyethyl)-N-methylcarbamate.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoropropan-2-yl N-(2-methoxyethyl)-N-methylcarbamate?
The canonical SMILES for 1,1,1,2,3,3-hexafluoropropan-2-yl N-(2-methoxyethyl)-N-methylcarbamate is COCCN(C)C(=O)OC(F)(C(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoropropan-2-yl N-(2-methoxyethyl)-N-methylcarbamate?
The InChIKey is SCZROYCPSAATIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6NO3/c1-15(3-4-17-2)6(16)18-7(11,5(9)10)8(12,13)14/h5H,3-4H2,1-2H3.
What are the key properties of 1,1,1,2,3,3-hexafluoropropan-2-yl N-(2-methoxyethyl)-N-methylcarbamate?
1,1,1,2,3,3-hexafluoropropan-2-yl N-(2-methoxyethyl)-N-methylcarbamate has a molecular weight of 283.17 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoropropan-2-yl N-(2-methoxyethyl)-N-methylcarbamate is sourced from PubChem (CID 87169744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).