[2-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine

C8H14F3NO — CID 43428736

IUPAC[2-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine
SMILESNCC1CCCC1OCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c9-8(10,11)5-13-7-3-1-2-6(7)4-12/h6-7H,1-5,12H2
InChIKeyVJMBGOSWMHCIRH-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.69
Rot. Bonds3

About [2-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine

[2-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine (PubChem CID 43428736) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is [2-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine
PubChem CID43428736
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name[2-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine
SMILESNCC1CCCC1OCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c9-8(10,11)5-13-7-3-1-2-6(7)4-12/h6-7H,1-5,12H2
InChIKeyVJMBGOSWMHCIRH-UHFFFAOYSA-N
XLogP1.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine?
The IUPAC name of [2-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine (CID 43428736) is [2-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine.
What is the SMILES notation for [2-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine?
The canonical SMILES for [2-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine is NCC1CCCC1OCC(F)(F)F.
What is the InChIKey of [2-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine?
The InChIKey is VJMBGOSWMHCIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)5-13-7-3-1-2-6(7)4-12/h6-7H,1-5,12H2.
What are the key properties of [2-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine?
[2-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine has a molecular weight of 197.20 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine is sourced from PubChem (CID 43428736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).