2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclopentan-1-amine

C10H18F3NO — CID 79861769

IUPAC2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclopentan-1-amine
SMILESCC1(C)CCCC1NCCOC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-9(2)5-3-4-8(9)14-6-7-15-10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyNBAFKRYAYIQKSR-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.69
Rot. Bonds4

About 2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclopentan-1-amine

2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclopentan-1-amine (PubChem CID 79861769) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclopentan-1-amine
PubChem CID79861769
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclopentan-1-amine
SMILESCC1(C)CCCC1NCCOC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-9(2)5-3-4-8(9)14-6-7-15-10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyNBAFKRYAYIQKSR-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
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 2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclopentan-1-amine (CID 79861769) is 2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclopentan-1-amine is CC1(C)CCCC1NCCOC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclopentan-1-amine?
The InChIKey is NBAFKRYAYIQKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-9(2)5-3-4-8(9)14-6-7-15-10(11,12)13/h8,14H,3-7H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclopentan-1-amine?
2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclopentan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 79861769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).