[2-amino-4-(trifluoromethyl)cyclohexyl] carbamate

C8H13F3N2O2 — CID 150703297

IUPAC[2-amino-4-(trifluoromethyl)cyclohexyl] carbamate
SMILESNC(=O)OC1CCC(C(F)(F)F)CC1N
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)4-1-2-6(5(12)3-4)15-7(13)14/h4-6H,1-3,12H2,(H2,13,14)
InChIKeyJMIJMOCEWKCNLE-UHFFFAOYSA-N
MW226.20 g/mol
LogP1.14
Rot. Bonds1

About [2-amino-4-(trifluoromethyl)cyclohexyl] carbamate

[2-amino-4-(trifluoromethyl)cyclohexyl] carbamate (PubChem CID 150703297) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is [2-amino-4-(trifluoromethyl)cyclohexyl] carbamate.

Molecular Properties

Compound Name[2-amino-4-(trifluoromethyl)cyclohexyl] carbamate
PubChem CID150703297
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name[2-amino-4-(trifluoromethyl)cyclohexyl] carbamate
SMILESNC(=O)OC1CCC(C(F)(F)F)CC1N
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)4-1-2-6(5(12)3-4)15-7(13)14/h4-6H,1-3,12H2,(H2,13,14)
InChIKeyJMIJMOCEWKCNLE-UHFFFAOYSA-N
XLogP1.14
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(trifluoromethyl)cyclohexyl] carbamate?
The IUPAC name of [2-amino-4-(trifluoromethyl)cyclohexyl] carbamate (CID 150703297) is [2-amino-4-(trifluoromethyl)cyclohexyl] carbamate.
What is the SMILES notation for [2-amino-4-(trifluoromethyl)cyclohexyl] carbamate?
The canonical SMILES for [2-amino-4-(trifluoromethyl)cyclohexyl] carbamate is NC(=O)OC1CCC(C(F)(F)F)CC1N.
What is the InChIKey of [2-amino-4-(trifluoromethyl)cyclohexyl] carbamate?
The InChIKey is JMIJMOCEWKCNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)4-1-2-6(5(12)3-4)15-7(13)14/h4-6H,1-3,12H2,(H2,13,14).
What are the key properties of [2-amino-4-(trifluoromethyl)cyclohexyl] carbamate?
[2-amino-4-(trifluoromethyl)cyclohexyl] carbamate has a molecular weight of 226.20 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(trifluoromethyl)cyclohexyl] carbamate is sourced from PubChem (CID 150703297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).