3,3-dimethyl-N-(2,2,2-trifluoroethoxy)cyclopentan-1-amine

C9H16F3NO — CID 82710658

IUPAC3,3-dimethyl-N-(2,2,2-trifluoroethoxy)cyclopentan-1-amine
SMILESCC1(C)CCC(NOCC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-8(2)4-3-7(5-8)13-14-6-9(10,11)12/h7,13H,3-6H2,1-2H3
InChIKeyVVZNTMLLUFSOMP-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.65
Rot. Bonds3

About 3,3-dimethyl-N-(2,2,2-trifluoroethoxy)cyclopentan-1-amine

3,3-dimethyl-N-(2,2,2-trifluoroethoxy)cyclopentan-1-amine (PubChem CID 82710658) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2,2,2-trifluoroethoxy)cyclopentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(2,2,2-trifluoroethoxy)cyclopentan-1-amine
PubChem CID82710658
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3,3-dimethyl-N-(2,2,2-trifluoroethoxy)cyclopentan-1-amine
SMILESCC1(C)CCC(NOCC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-8(2)4-3-7(5-8)13-14-6-9(10,11)12/h7,13H,3-6H2,1-2H3
InChIKeyVVZNTMLLUFSOMP-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.65
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 3,3-dimethyl-N-(2,2,2-trifluoroethoxy)cyclopentan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(2,2,2-trifluoroethoxy)cyclopentan-1-amine (CID 82710658) is 3,3-dimethyl-N-(2,2,2-trifluoroethoxy)cyclopentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(2,2,2-trifluoroethoxy)cyclopentan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(2,2,2-trifluoroethoxy)cyclopentan-1-amine is CC1(C)CCC(NOCC(F)(F)F)C1.
What is the InChIKey of 3,3-dimethyl-N-(2,2,2-trifluoroethoxy)cyclopentan-1-amine?
The InChIKey is VVZNTMLLUFSOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-8(2)4-3-7(5-8)13-14-6-9(10,11)12/h7,13H,3-6H2,1-2H3.
What are the key properties of 3,3-dimethyl-N-(2,2,2-trifluoroethoxy)cyclopentan-1-amine?
3,3-dimethyl-N-(2,2,2-trifluoroethoxy)cyclopentan-1-amine has a molecular weight of 211.23 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2,2,2-trifluoroethoxy)cyclopentan-1-amine is sourced from PubChem (CID 82710658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).