[4-(2,2,2-trifluoroethylamino)cyclohexyl] carbamate

C9H15F3N2O2 — CID 175221762

IUPAC[4-(2,2,2-trifluoroethylamino)cyclohexyl] carbamate
SMILESNC(=O)OC1CCC(NCC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)5-14-6-1-3-7(4-2-6)16-8(13)15/h6-7,14H,1-5H2,(H2,13,15)
InChIKeyGPTVPLQLSMOUKQ-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.54
Rot. Bonds3

About [4-(2,2,2-trifluoroethylamino)cyclohexyl] carbamate

[4-(2,2,2-trifluoroethylamino)cyclohexyl] carbamate (PubChem CID 175221762) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is [4-(2,2,2-trifluoroethylamino)cyclohexyl] carbamate.

Molecular Properties

Compound Name[4-(2,2,2-trifluoroethylamino)cyclohexyl] carbamate
PubChem CID175221762
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name[4-(2,2,2-trifluoroethylamino)cyclohexyl] carbamate
SMILESNC(=O)OC1CCC(NCC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)5-14-6-1-3-7(4-2-6)16-8(13)15/h6-7,14H,1-5H2,(H2,13,15)
InChIKeyGPTVPLQLSMOUKQ-UHFFFAOYSA-N
XLogP1.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2,2,2-trifluoroethylamino)cyclohexyl] carbamate?
The IUPAC name of [4-(2,2,2-trifluoroethylamino)cyclohexyl] carbamate (CID 175221762) is [4-(2,2,2-trifluoroethylamino)cyclohexyl] carbamate.
What is the SMILES notation for [4-(2,2,2-trifluoroethylamino)cyclohexyl] carbamate?
The canonical SMILES for [4-(2,2,2-trifluoroethylamino)cyclohexyl] carbamate is NC(=O)OC1CCC(NCC(F)(F)F)CC1.
What is the InChIKey of [4-(2,2,2-trifluoroethylamino)cyclohexyl] carbamate?
The InChIKey is GPTVPLQLSMOUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)5-14-6-1-3-7(4-2-6)16-8(13)15/h6-7,14H,1-5H2,(H2,13,15).
What are the key properties of [4-(2,2,2-trifluoroethylamino)cyclohexyl] carbamate?
[4-(2,2,2-trifluoroethylamino)cyclohexyl] carbamate has a molecular weight of 240.22 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2,2-trifluoroethylamino)cyclohexyl] carbamate is sourced from PubChem (CID 175221762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).