3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol

C10H18F3NO2 — CID 121379117

IUPAC3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCC(O)(COC1CCC(N)CC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-9(15,10(11,12)13)6-16-8-4-2-7(14)3-5-8/h7-8,15H,2-6,14H2,1H3
InChIKeyWSPLVPZTNDVRBI-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.59
Rot. Bonds3

About 3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol

3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol (PubChem CID 121379117) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol.

Molecular Properties

Compound Name3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol
PubChem CID121379117
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCC(O)(COC1CCC(N)CC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-9(15,10(11,12)13)6-16-8-4-2-7(14)3-5-8/h7-8,15H,2-6,14H2,1H3
InChIKeyWSPLVPZTNDVRBI-UHFFFAOYSA-N
XLogP1.59
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol?
The IUPAC name of 3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol (CID 121379117) is 3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol.
What is the SMILES notation for 3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol?
The canonical SMILES for 3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol is CC(O)(COC1CCC(N)CC1)C(F)(F)F.
What is the InChIKey of 3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol?
The InChIKey is WSPLVPZTNDVRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-9(15,10(11,12)13)6-16-8-4-2-7(14)3-5-8/h7-8,15H,2-6,14H2,1H3.
What are the key properties of 3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol?
3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol has a molecular weight of 241.25 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol is sourced from PubChem (CID 121379117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).