N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptanamine

C11H20F3NO — CID 60732956

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptanamine
SMILESFC(F)(F)COCCNC1CCCCCC1
InChIInChI=1S/C11H20F3NO/c12-11(13,14)9-16-8-7-15-10-5-3-1-2-4-6-10/h10,15H,1-9H2
InChIKeyVPFJBWGPXKRRBU-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.88
Rot. Bonds5

About N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptanamine

N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptanamine (PubChem CID 60732956) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptanamine
PubChem CID60732956
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptanamine
SMILESFC(F)(F)COCCNC1CCCCCC1
InChIInChI=1S/C11H20F3NO/c12-11(13,14)9-16-8-7-15-10-5-3-1-2-4-6-10/h10,15H,1-9H2
InChIKeyVPFJBWGPXKRRBU-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptanamine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptanamine (CID 60732956) is N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptanamine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptanamine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptanamine is FC(F)(F)COCCNC1CCCCCC1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptanamine?
The InChIKey is VPFJBWGPXKRRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c12-11(13,14)9-16-8-7-15-10-5-3-1-2-4-6-10/h10,15H,1-9H2.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptanamine?
N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptanamine has a molecular weight of 239.28 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptanamine is sourced from PubChem (CID 60732956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).