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

C9H16F3N — CID 80692833

IUPAC3,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine
SMILESCC1(C)CCC(NCC(F)(F)F)C1
InChIInChI=1S/C9H16F3N/c1-8(2)4-3-7(5-8)13-6-9(10,11)12/h7,13H,3-6H2,1-2H3
InChIKeyJJYWZTCNTAJJMU-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.72
Rot. Bonds2

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

3,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine (PubChem CID 80692833) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine
PubChem CID80692833
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name3,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine
SMILESCC1(C)CCC(NCC(F)(F)F)C1
InChIInChI=1S/C9H16F3N/c1-8(2)4-3-7(5-8)13-6-9(10,11)12/h7,13H,3-6H2,1-2H3
InChIKeyJJYWZTCNTAJJMU-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine (CID 80692833) is 3,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine is CC1(C)CCC(NCC(F)(F)F)C1.
What is the InChIKey of 3,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine?
The InChIKey is JJYWZTCNTAJJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-8(2)4-3-7(5-8)13-6-9(10,11)12/h7,13H,3-6H2,1-2H3.
What are the key properties of 3,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine?
3,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine has a molecular weight of 195.23 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine is sourced from PubChem (CID 80692833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).