1,1,1,3,3,3-hexafluoropropan-2-yl N-ethyl-N-methylcarbamate

C7H9F6NO2 — CID 123582688

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H9F6NO2/c1-3-14(2)5(15)16-4(6(8,9)10)7(11,12)13/h4H,3H2,1-2H3
InChIKeyIBYKMAYUJWZURU-UHFFFAOYSA-N
MW253.14 g/mol
LogP2.57
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoropropan-2-yl N-ethyl-N-methylcarbamate

1,1,1,3,3,3-hexafluoropropan-2-yl N-ethyl-N-methylcarbamate (PubChem CID 123582688) has the molecular formula C7H9F6NO2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl N-ethyl-N-methylcarbamate
PubChem CID123582688
Molecular FormulaC7H9F6NO2
Molecular Weight253.14 g/mol
Exact Mass253.05
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H9F6NO2/c1-3-14(2)5(15)16-4(6(8,9)10)7(11,12)13/h4H,3H2,1-2H3
InChIKeyIBYKMAYUJWZURU-UHFFFAOYSA-N
XLogP2.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl N-ethyl-N-methylcarbamate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl N-ethyl-N-methylcarbamate (CID 123582688) is 1,1,1,3,3,3-hexafluoropropan-2-yl N-ethyl-N-methylcarbamate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl N-ethyl-N-methylcarbamate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl N-ethyl-N-methylcarbamate is CCN(C)C(=O)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl N-ethyl-N-methylcarbamate?
The InChIKey is IBYKMAYUJWZURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F6NO2/c1-3-14(2)5(15)16-4(6(8,9)10)7(11,12)13/h4H,3H2,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl N-ethyl-N-methylcarbamate?
1,1,1,3,3,3-hexafluoropropan-2-yl N-ethyl-N-methylcarbamate has a molecular weight of 253.14 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl N-ethyl-N-methylcarbamate is sourced from PubChem (CID 123582688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).