2-(2,2,2-trifluoroethoxy)cycloheptan-1-amine

C9H16F3NO — CID 16786717

IUPAC2-(2,2,2-trifluoroethoxy)cycloheptan-1-amine
SMILESNC1CCCCCC1OCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c10-9(11,12)6-14-8-5-3-1-2-4-7(8)13/h7-8H,1-6,13H2
InChIKeyWOQHHHSYJGMLCB-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.23
Rot. Bonds2

About 2-(2,2,2-trifluoroethoxy)cycloheptan-1-amine

2-(2,2,2-trifluoroethoxy)cycloheptan-1-amine (PubChem CID 16786717) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)cycloheptan-1-amine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)cycloheptan-1-amine
PubChem CID16786717
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2-(2,2,2-trifluoroethoxy)cycloheptan-1-amine
SMILESNC1CCCCCC1OCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c10-9(11,12)6-14-8-5-3-1-2-4-7(8)13/h7-8H,1-6,13H2
InChIKeyWOQHHHSYJGMLCB-UHFFFAOYSA-N
XLogP2.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)cycloheptan-1-amine?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)cycloheptan-1-amine (CID 16786717) is 2-(2,2,2-trifluoroethoxy)cycloheptan-1-amine.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)cycloheptan-1-amine?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)cycloheptan-1-amine is NC1CCCCCC1OCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)cycloheptan-1-amine?
The InChIKey is WOQHHHSYJGMLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)6-14-8-5-3-1-2-4-7(8)13/h7-8H,1-6,13H2.
What are the key properties of 2-(2,2,2-trifluoroethoxy)cycloheptan-1-amine?
2-(2,2,2-trifluoroethoxy)cycloheptan-1-amine has a molecular weight of 211.23 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)cycloheptan-1-amine is sourced from PubChem (CID 16786717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).