1-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-ol

C10H18F3NO2 — CID 79587788

IUPAC1-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-ol
SMILESNCC1(O)CCCC1CCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)7-16-5-3-8-2-1-4-9(8,15)6-14/h8,15H,1-7,14H2
InChIKeyDXANTZGIXAUOTA-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.45
Rot. Bonds5

About 1-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-ol

1-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-ol (PubChem CID 79587788) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-ol
PubChem CID79587788
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name1-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-ol
SMILESNCC1(O)CCCC1CCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)7-16-5-3-8-2-1-4-9(8,15)6-14/h8,15H,1-7,14H2
InChIKeyDXANTZGIXAUOTA-UHFFFAOYSA-N
XLogP1.45
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-ol?
The IUPAC name of 1-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-ol (CID 79587788) is 1-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-ol is NCC1(O)CCCC1CCOCC(F)(F)F.
What is the InChIKey of 1-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-ol?
The InChIKey is DXANTZGIXAUOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c11-10(12,13)7-16-5-3-8-2-1-4-9(8,15)6-14/h8,15H,1-7,14H2.
What are the key properties of 1-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-ol?
1-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-ol has a molecular weight of 241.25 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 79587788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).