1,1,1,2,3,3-hexafluoropropan-2-yl N-ethyl-N-(2-methoxyethyl)carbamate

C9H13F6NO3 — CID 87169750

IUPAC1,1,1,2,3,3-hexafluoropropan-2-yl N-ethyl-N-(2-methoxyethyl)carbamate
SMILESCCN(CCOC)C(=O)OC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6NO3/c1-3-16(4-5-18-2)7(17)19-8(12,6(10)11)9(13,14)15/h6H,3-5H2,1-2H3
InChIKeyMBOIESWFELQZHC-UHFFFAOYSA-N
MW297.19 g/mol
LogP2.58
Rot. Bonds6

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

1,1,1,2,3,3-hexafluoropropan-2-yl N-ethyl-N-(2-methoxyethyl)carbamate (PubChem CID 87169750) has the molecular formula C9H13F6NO3 and a molecular weight of 297.19 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoropropan-2-yl N-ethyl-N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoropropan-2-yl N-ethyl-N-(2-methoxyethyl)carbamate
PubChem CID87169750
Molecular FormulaC9H13F6NO3
Molecular Weight297.19 g/mol
Exact Mass297.08
IUPAC Name1,1,1,2,3,3-hexafluoropropan-2-yl N-ethyl-N-(2-methoxyethyl)carbamate
SMILESCCN(CCOC)C(=O)OC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6NO3/c1-3-16(4-5-18-2)7(17)19-8(12,6(10)11)9(13,14)15/h6H,3-5H2,1-2H3
InChIKeyMBOIESWFELQZHC-UHFFFAOYSA-N
XLogP2.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoropropan-2-yl N-ethyl-N-(2-methoxyethyl)carbamate?
The IUPAC name of 1,1,1,2,3,3-hexafluoropropan-2-yl N-ethyl-N-(2-methoxyethyl)carbamate (CID 87169750) is 1,1,1,2,3,3-hexafluoropropan-2-yl N-ethyl-N-(2-methoxyethyl)carbamate.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoropropan-2-yl N-ethyl-N-(2-methoxyethyl)carbamate?
The canonical SMILES for 1,1,1,2,3,3-hexafluoropropan-2-yl N-ethyl-N-(2-methoxyethyl)carbamate is CCN(CCOC)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-ethyl-N-(2-methoxyethyl)carbamate?
The InChIKey is MBOIESWFELQZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6NO3/c1-3-16(4-5-18-2)7(17)19-8(12,6(10)11)9(13,14)15/h6H,3-5H2,1-2H3.
What are the key properties of 1,1,1,2,3,3-hexafluoropropan-2-yl N-ethyl-N-(2-methoxyethyl)carbamate?
1,1,1,2,3,3-hexafluoropropan-2-yl N-ethyl-N-(2-methoxyethyl)carbamate has a molecular weight of 297.19 g/mol, XLogP of 2.58, 6 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-ethyl-N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 87169750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).