3-cyclopropyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C11H18F3NO — CID 82711341

IUPAC3-cyclopropyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESFC(F)(F)CONC1CCCC(C2CC2)C1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)7-16-15-10-3-1-2-9(6-10)8-4-5-8/h8-10,15H,1-7H2
InChIKeyGRBBKXBGQYAEEZ-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.04
Rot. Bonds4

About 3-cyclopropyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

3-cyclopropyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 82711341) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-cyclopropyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID82711341
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name3-cyclopropyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESFC(F)(F)CONC1CCCC(C2CC2)C1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)7-16-15-10-3-1-2-9(6-10)8-4-5-8/h8-10,15H,1-7H2
InChIKeyGRBBKXBGQYAEEZ-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of 3-cyclopropyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 82711341) is 3-cyclopropyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is FC(F)(F)CONC1CCCC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is GRBBKXBGQYAEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c12-11(13,14)7-16-15-10-3-1-2-9(6-10)8-4-5-8/h8-10,15H,1-7H2.
What are the key properties of 3-cyclopropyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
3-cyclopropyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 237.26 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 82711341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).