[4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate

C12H19F3N2O4 — CID 175185049

IUPAC[4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate
SMILESCOCCN(C(=O)C(F)(F)F)C1CCC(OC(N)=O)CC1
InChIInChI=1S/C12H19F3N2O4/c1-20-7-6-17(10(18)12(13,14)15)8-2-4-9(5-3-8)21-11(16)19/h8-9H,2-7H2,1H3,(H2,16,19)
InChIKeyWZFLJBXRSFTNGN-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.43
Rot. Bonds5

About [4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate

[4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate (PubChem CID 175185049) has the molecular formula C12H19F3N2O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is [4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate.

Molecular Properties

Compound Name[4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate
PubChem CID175185049
Molecular FormulaC12H19F3N2O4
Molecular Weight312.29 g/mol
Exact Mass312.13
IUPAC Name[4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate
SMILESCOCCN(C(=O)C(F)(F)F)C1CCC(OC(N)=O)CC1
InChIInChI=1S/C12H19F3N2O4/c1-20-7-6-17(10(18)12(13,14)15)8-2-4-9(5-3-8)21-11(16)19/h8-9H,2-7H2,1H3,(H2,16,19)
InChIKeyWZFLJBXRSFTNGN-UHFFFAOYSA-N
XLogP1.43
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate?
The IUPAC name of [4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate (CID 175185049) is [4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate.
What is the SMILES notation for [4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate?
The canonical SMILES for [4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate is COCCN(C(=O)C(F)(F)F)C1CCC(OC(N)=O)CC1.
What is the InChIKey of [4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate?
The InChIKey is WZFLJBXRSFTNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O4/c1-20-7-6-17(10(18)12(13,14)15)8-2-4-9(5-3-8)21-11(16)19/h8-9H,2-7H2,1H3,(H2,16,19).
What are the key properties of [4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate?
[4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate has a molecular weight of 312.29 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate is sourced from PubChem (CID 175185049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).