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

C11H20F3NO2 — CID 79586557

IUPAC1-(aminomethyl)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentan-1-ol
SMILESCC(OCCC1CCCC1(O)CN)C(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-8(11(12,13)14)17-6-4-9-3-2-5-10(9,16)7-15/h8-9,16H,2-7,15H2,1H3
InChIKeyZYAAFRSJPWRYQX-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.83
Rot. Bonds5

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

1-(aminomethyl)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentan-1-ol (PubChem CID 79586557) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentan-1-ol
PubChem CID79586557
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name1-(aminomethyl)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentan-1-ol
SMILESCC(OCCC1CCCC1(O)CN)C(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-8(11(12,13)14)17-6-4-9-3-2-5-10(9,16)7-15/h8-9,16H,2-7,15H2,1H3
InChIKeyZYAAFRSJPWRYQX-UHFFFAOYSA-N
XLogP1.83
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentan-1-ol?
The IUPAC name of 1-(aminomethyl)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentan-1-ol (CID 79586557) is 1-(aminomethyl)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-(aminomethyl)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentan-1-ol is CC(OCCC1CCCC1(O)CN)C(F)(F)F.
What is the InChIKey of 1-(aminomethyl)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentan-1-ol?
The InChIKey is ZYAAFRSJPWRYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-8(11(12,13)14)17-6-4-9-3-2-5-10(9,16)7-15/h8-9,16H,2-7,15H2,1H3.
What are the key properties of 1-(aminomethyl)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentan-1-ol?
1-(aminomethyl)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentan-1-ol has a molecular weight of 255.28 g/mol, XLogP of 1.83, 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-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 79586557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).