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

C7H12F3NO — CID 115515613

IUPAC3-(4,4,4-trifluorobutyl)azetidin-3-ol
SMILESOC1(CCCC(F)(F)F)CNC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)3-1-2-6(12)4-11-5-6/h11-12H,1-5H2
InChIKeyONLQZFCJPIOUFD-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.05
Rot. Bonds3

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

3-(4,4,4-trifluorobutyl)azetidin-3-ol (PubChem CID 115515613) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 3-(4,4,4-trifluorobutyl)azetidin-3-ol.

Molecular Properties

Compound Name3-(4,4,4-trifluorobutyl)azetidin-3-ol
PubChem CID115515613
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name3-(4,4,4-trifluorobutyl)azetidin-3-ol
SMILESOC1(CCCC(F)(F)F)CNC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)3-1-2-6(12)4-11-5-6/h11-12H,1-5H2
InChIKeyONLQZFCJPIOUFD-UHFFFAOYSA-N
XLogP1.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,3,3-Trifluoropropyl)azetidin-3-ol
CID 65920473
5,5,5-Trifluoro-2-methyl-1-(methylamino)pentan-2-ol
CID 66039599
6,6,6-Trifluoro-2-methyl-1-(methylamino)hexan-2-ol
CID 115519627
1-{[(2,2,2-Trifluoroethyl)amino]methyl}cyclobutan-1-ol
CID 115692755
3-(2,2,3,3-Tetrafluoropropyl)azetidin-3-ol
CID 130902464
3-(1,1-Difluoroethyl)azetidin-3-ol
CID 147302413
3,3-Difluoro-1-(methylaminomethyl)cyclobutanol
CID 155894375
3-(1-Amino-4,4,4-trifluorobutyl)azetidin-3-ol
CID 165594098
3-(1-Amino-3,3,4,4-tetrafluorobutyl)azetidin-3-ol
CID 165601735
3-(2-Fluoro-2-methylpropyl)azetidin-3-ol
CID 165625150
3-(3,3,4,4,4-Pentafluorobutyl)azetidin-3-ol
CID 165630622
3-(3,3-Difluorocyclobutyl)azetidin-3-ol
CID 165630966

Frequently Asked Questions

What is the IUPAC name of 3-(4,4,4-trifluorobutyl)azetidin-3-ol?
The IUPAC name of 3-(4,4,4-trifluorobutyl)azetidin-3-ol (CID 115515613) is 3-(4,4,4-trifluorobutyl)azetidin-3-ol.
What is the SMILES notation for 3-(4,4,4-trifluorobutyl)azetidin-3-ol?
The canonical SMILES for 3-(4,4,4-trifluorobutyl)azetidin-3-ol is OC1(CCCC(F)(F)F)CNC1.
What is the InChIKey of 3-(4,4,4-trifluorobutyl)azetidin-3-ol?
The InChIKey is ONLQZFCJPIOUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)3-1-2-6(12)4-11-5-6/h11-12H,1-5H2.
What are the key properties of 3-(4,4,4-trifluorobutyl)azetidin-3-ol?
3-(4,4,4-trifluorobutyl)azetidin-3-ol has a molecular weight of 183.17 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4,4-trifluorobutyl)azetidin-3-ol is sourced from PubChem (CID 115515613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).