1-(aminomethyl)-2-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]cyclopentan-1-ol

C11H17F6NO2 — CID 102723519

IUPAC1-(aminomethyl)-2-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]cyclopentan-1-ol
SMILESNCC1(O)CCCC1CCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H17F6NO2/c12-10(13,14)8(11(15,16)17)20-5-3-7-2-1-4-9(7,19)6-18/h7-8,19H,1-6,18H2
InChIKeyBZAIGTGGVKNKFO-UHFFFAOYSA-N
MW309.25 g/mol
LogP2.38
Rot. Bonds5

About 1-(aminomethyl)-2-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]cyclopentan-1-ol

1-(aminomethyl)-2-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]cyclopentan-1-ol (PubChem CID 102723519) has the molecular formula C11H17F6NO2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-2-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]cyclopentan-1-ol
PubChem CID102723519
Molecular FormulaC11H17F6NO2
Molecular Weight309.25 g/mol
Exact Mass309.12
IUPAC Name1-(aminomethyl)-2-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]cyclopentan-1-ol
SMILESNCC1(O)CCCC1CCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H17F6NO2/c12-10(13,14)8(11(15,16)17)20-5-3-7-2-1-4-9(7,19)6-18/h7-8,19H,1-6,18H2
InChIKeyBZAIGTGGVKNKFO-UHFFFAOYSA-N
XLogP2.38
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 52.38
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-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]cyclopentan-1-ol?
The IUPAC name of 1-(aminomethyl)-2-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]cyclopentan-1-ol (CID 102723519) is 1-(aminomethyl)-2-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-2-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-(aminomethyl)-2-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]cyclopentan-1-ol is NCC1(O)CCCC1CCOC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(aminomethyl)-2-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]cyclopentan-1-ol?
The InChIKey is BZAIGTGGVKNKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6NO2/c12-10(13,14)8(11(15,16)17)20-5-3-7-2-1-4-9(7,19)6-18/h7-8,19H,1-6,18H2.
What are the key properties of 1-(aminomethyl)-2-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]cyclopentan-1-ol?
1-(aminomethyl)-2-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]cyclopentan-1-ol has a molecular weight of 309.25 g/mol, XLogP of 2.38, 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-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 102723519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).