1-(4-aminocyclohexyl)-3-(trifluoromethyl)azetidin-3-ol

C10H17F3N2O — CID 129247927

IUPAC1-(4-aminocyclohexyl)-3-(trifluoromethyl)azetidin-3-ol
SMILESNC1CCC(N2CC(O)(C(F)(F)F)C2)CC1
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)9(16)5-15(6-9)8-3-1-7(14)2-4-8/h7-8,16H,1-6,14H2
InChIKeyOCNASMOMRGDCQT-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.87
Rot. Bonds1

About 1-(4-aminocyclohexyl)-3-(trifluoromethyl)azetidin-3-ol

1-(4-aminocyclohexyl)-3-(trifluoromethyl)azetidin-3-ol (PubChem CID 129247927) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-3-(trifluoromethyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-3-(trifluoromethyl)azetidin-3-ol
PubChem CID129247927
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name1-(4-aminocyclohexyl)-3-(trifluoromethyl)azetidin-3-ol
SMILESNC1CCC(N2CC(O)(C(F)(F)F)C2)CC1
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)9(16)5-15(6-9)8-3-1-7(14)2-4-8/h7-8,16H,1-6,14H2
InChIKeyOCNASMOMRGDCQT-UHFFFAOYSA-N
XLogP0.87
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-3-(trifluoromethyl)azetidin-3-ol?
The IUPAC name of 1-(4-aminocyclohexyl)-3-(trifluoromethyl)azetidin-3-ol (CID 129247927) is 1-(4-aminocyclohexyl)-3-(trifluoromethyl)azetidin-3-ol.
What is the SMILES notation for 1-(4-aminocyclohexyl)-3-(trifluoromethyl)azetidin-3-ol?
The canonical SMILES for 1-(4-aminocyclohexyl)-3-(trifluoromethyl)azetidin-3-ol is NC1CCC(N2CC(O)(C(F)(F)F)C2)CC1.
What is the InChIKey of 1-(4-aminocyclohexyl)-3-(trifluoromethyl)azetidin-3-ol?
The InChIKey is OCNASMOMRGDCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c11-10(12,13)9(16)5-15(6-9)8-3-1-7(14)2-4-8/h7-8,16H,1-6,14H2.
What are the key properties of 1-(4-aminocyclohexyl)-3-(trifluoromethyl)azetidin-3-ol?
1-(4-aminocyclohexyl)-3-(trifluoromethyl)azetidin-3-ol has a molecular weight of 238.25 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-3-(trifluoromethyl)azetidin-3-ol is sourced from PubChem (CID 129247927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).