3-ethyl-1-(trifluoromethyl)cyclopentan-1-amine

C8H14F3N — CID 64513627

IUPAC3-ethyl-1-(trifluoromethyl)cyclopentan-1-amine
SMILESCCC1CCC(N)(C(F)(F)F)C1
InChIInChI=1S/C8H14F3N/c1-2-6-3-4-7(12,5-6)8(9,10)11/h6H,2-5,12H2,1H3
InChIKeyPGYSUPMEHGQOGO-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.46
Rot. Bonds1

About 3-ethyl-1-(trifluoromethyl)cyclopentan-1-amine

3-ethyl-1-(trifluoromethyl)cyclopentan-1-amine (PubChem CID 64513627) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is 3-ethyl-1-(trifluoromethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-(trifluoromethyl)cyclopentan-1-amine
PubChem CID64513627
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name3-ethyl-1-(trifluoromethyl)cyclopentan-1-amine
SMILESCCC1CCC(N)(C(F)(F)F)C1
InChIInChI=1S/C8H14F3N/c1-2-6-3-4-7(12,5-6)8(9,10)11/h6H,2-5,12H2,1H3
InChIKeyPGYSUPMEHGQOGO-UHFFFAOYSA-N
XLogP2.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(trifluoromethyl)cyclopentan-1-amine?
The IUPAC name of 3-ethyl-1-(trifluoromethyl)cyclopentan-1-amine (CID 64513627) is 3-ethyl-1-(trifluoromethyl)cyclopentan-1-amine.
What is the SMILES notation for 3-ethyl-1-(trifluoromethyl)cyclopentan-1-amine?
The canonical SMILES for 3-ethyl-1-(trifluoromethyl)cyclopentan-1-amine is CCC1CCC(N)(C(F)(F)F)C1.
What is the InChIKey of 3-ethyl-1-(trifluoromethyl)cyclopentan-1-amine?
The InChIKey is PGYSUPMEHGQOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c1-2-6-3-4-7(12,5-6)8(9,10)11/h6H,2-5,12H2,1H3.
What are the key properties of 3-ethyl-1-(trifluoromethyl)cyclopentan-1-amine?
3-ethyl-1-(trifluoromethyl)cyclopentan-1-amine has a molecular weight of 181.20 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(trifluoromethyl)cyclopentan-1-amine is sourced from PubChem (CID 64513627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).