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

C10H18F3NO — CID 82711132

IUPAC3-ethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCCC1CCCC(NOCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-2-8-4-3-5-9(6-8)14-15-7-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyPBLCQUJVRXMUTJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP3.04
Rot. Bonds4

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

3-ethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 82711132) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-ethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID82711132
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name3-ethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCCC1CCCC(NOCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-2-8-4-3-5-9(6-8)14-15-7-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyPBLCQUJVRXMUTJ-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
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-ethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of 3-ethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 82711132) is 3-ethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for 3-ethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for 3-ethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CCC1CCCC(NOCC(F)(F)F)C1.
What is the InChIKey of 3-ethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is PBLCQUJVRXMUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-2-8-4-3-5-9(6-8)14-15-7-10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of 3-ethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
3-ethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 225.25 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-ethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 82711132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).