[1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine

C10H18F3NO — CID 62111417

IUPAC[1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine
SMILESNCC1(OCC(F)(F)F)CCCCCC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)8-15-9(7-14)5-3-1-2-4-6-9/h1-8,14H2
InChIKeyRSFFVQFMHFJHIU-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.62
Rot. Bonds3

About [1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine

[1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine (PubChem CID 62111417) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine
PubChem CID62111417
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name[1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine
SMILESNCC1(OCC(F)(F)F)CCCCCC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)8-15-9(7-14)5-3-1-2-4-6-9/h1-8,14H2
InChIKeyRSFFVQFMHFJHIU-UHFFFAOYSA-N
XLogP2.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine?
The IUPAC name of [1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine (CID 62111417) is [1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine.
What is the SMILES notation for [1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine?
The canonical SMILES for [1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine is NCC1(OCC(F)(F)F)CCCCCC1.
What is the InChIKey of [1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine?
The InChIKey is RSFFVQFMHFJHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)8-15-9(7-14)5-3-1-2-4-6-9/h1-8,14H2.
What are the key properties of [1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine?
[1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine has a molecular weight of 225.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine is sourced from PubChem (CID 62111417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).