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

C10H18F3NO — CID 115518096

IUPAC3-propyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol
SMILESCCCC1(O)CN(CCCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-2-4-9(15)7-14(8-9)6-3-5-10(11,12)13/h15H,2-8H2,1H3
InChIKeyJEJGSVQLJLXNHP-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.18
Rot. Bonds5

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

3-propyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol (PubChem CID 115518096) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-propyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol.

Molecular Properties

Compound Name3-propyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol
PubChem CID115518096
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name3-propyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol
SMILESCCCC1(O)CN(CCCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-2-4-9(15)7-14(8-9)6-3-5-10(11,12)13/h15H,2-8H2,1H3
InChIKeyJEJGSVQLJLXNHP-UHFFFAOYSA-N
XLogP2.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-propyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethane;1-methyl-3-(trifluoromethyl)piperidin-3-ol
CID 145307662
1-(Dimethylamino)-3,3-difluoro-2,4-dimethylpentan-2-ol
CID 156547545
Ethane;1-methyl-3-(trifluoromethyl)piperidin-3-ol
CID 166471354
4,4-Difluoro-1,3-dimethylpiperidin-3-ol;ethane
CID 168906550
3-(Difluoromethyl)-1-propylpiperidin-3-ol
CID 175738596
1-Propyl-3-(trifluoromethyl)piperidin-3-ol
CID 175945358
3-Ethyl-1-(3,3,3-trifluoropropyl)azetidin-3-ol
CID 65929473
1-(2,2-Difluoroethyl)-3-ethylazetidin-3-ol
CID 65930262
3-Ethyl-1-(2,2,2-trifluoroethyl)azetidin-3-ol
CID 65930958
3-Cyclopropyl-1-(2,2,2-trifluoroethyl)azetidin-3-ol
CID 65938314
3-Cyclopropyl-1-(3,3,3-trifluoropropyl)azetidin-3-ol
CID 65938508
1-(2,2-Difluoroethyl)-3-propan-2-ylazetidin-3-ol
CID 65939230

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol?
The IUPAC name of 3-propyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol (CID 115518096) is 3-propyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol.
What is the SMILES notation for 3-propyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol?
The canonical SMILES for 3-propyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol is CCCC1(O)CN(CCCC(F)(F)F)C1.
What is the InChIKey of 3-propyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol?
The InChIKey is JEJGSVQLJLXNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-2-4-9(15)7-14(8-9)6-3-5-10(11,12)13/h15H,2-8H2,1H3.
What are the key properties of 3-propyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol?
3-propyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol has a molecular weight of 225.25 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol is sourced from PubChem (CID 115518096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).