2,2,2-trifluoroethyl N-cyclohexyl-N-methylcarbamate

C10H16F3NO2 — CID 60705901

IUPAC2,2,2-trifluoroethyl N-cyclohexyl-N-methylcarbamate
SMILESCN(C(=O)OCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H16F3NO2/c1-14(8-5-3-2-4-6-8)9(15)16-7-10(11,12)13/h8H,2-7H2,1H3
InChIKeyKLOWEDREXXZHBX-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.95
Rot. Bonds2

About 2,2,2-trifluoroethyl N-cyclohexyl-N-methylcarbamate

2,2,2-trifluoroethyl N-cyclohexyl-N-methylcarbamate (PubChem CID 60705901) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-cyclohexyl-N-methylcarbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-cyclohexyl-N-methylcarbamate
PubChem CID60705901
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name2,2,2-trifluoroethyl N-cyclohexyl-N-methylcarbamate
SMILESCN(C(=O)OCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H16F3NO2/c1-14(8-5-3-2-4-6-8)9(15)16-7-10(11,12)13/h8H,2-7H2,1H3
InChIKeyKLOWEDREXXZHBX-UHFFFAOYSA-N
XLogP2.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-cyclohexyl-N-methylcarbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-cyclohexyl-N-methylcarbamate (CID 60705901) is 2,2,2-trifluoroethyl N-cyclohexyl-N-methylcarbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-cyclohexyl-N-methylcarbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-cyclohexyl-N-methylcarbamate is CN(C(=O)OCC(F)(F)F)C1CCCCC1.
What is the InChIKey of 2,2,2-trifluoroethyl N-cyclohexyl-N-methylcarbamate?
The InChIKey is KLOWEDREXXZHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-14(8-5-3-2-4-6-8)9(15)16-7-10(11,12)13/h8H,2-7H2,1H3.
What are the key properties of 2,2,2-trifluoroethyl N-cyclohexyl-N-methylcarbamate?
2,2,2-trifluoroethyl N-cyclohexyl-N-methylcarbamate has a molecular weight of 239.24 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-cyclohexyl-N-methylcarbamate is sourced from PubChem (CID 60705901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).