3-cyclopropyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol

C10H16F3NO — CID 115518098

IUPAC3-cyclopropyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol
SMILESOC1(C2CC2)CN(CCCC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO/c11-10(12,13)4-1-5-14-6-9(15,7-14)8-2-3-8/h8,15H,1-7H2
InChIKeyYCGXUHVAEMENQY-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.79
Rot. Bonds4

About 3-cyclopropyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol

3-cyclopropyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol (PubChem CID 115518098) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 3-cyclopropyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol
PubChem CID115518098
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name3-cyclopropyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol
SMILESOC1(C2CC2)CN(CCCC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO/c11-10(12,13)4-1-5-14-6-9(15,7-14)8-2-3-8/h8,15H,1-7H2
InChIKeyYCGXUHVAEMENQY-UHFFFAOYSA-N
XLogP1.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol?
The IUPAC name of 3-cyclopropyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol (CID 115518098) is 3-cyclopropyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol.
What is the SMILES notation for 3-cyclopropyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol?
The canonical SMILES for 3-cyclopropyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol is OC1(C2CC2)CN(CCCC(F)(F)F)C1.
What is the InChIKey of 3-cyclopropyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol?
The InChIKey is YCGXUHVAEMENQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c11-10(12,13)4-1-5-14-6-9(15,7-14)8-2-3-8/h8,15H,1-7H2.
What are the key properties of 3-cyclopropyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol?
3-cyclopropyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol has a molecular weight of 223.24 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol is sourced from PubChem (CID 115518098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).