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

C7H12F3NO — CID 115518090

IUPAC1-(4,4,4-trifluorobutyl)azetidin-3-ol
SMILESOC1CN(CCCC(F)(F)F)C1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)2-1-3-11-4-6(12)5-11/h6,12H,1-5H2
InChIKeyQAOSTFZKJZYRIF-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.01
Rot. Bonds3

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

1-(4,4,4-trifluorobutyl)azetidin-3-ol (PubChem CID 115518090) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutyl)azetidin-3-ol
PubChem CID115518090
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name1-(4,4,4-trifluorobutyl)azetidin-3-ol
SMILESOC1CN(CCCC(F)(F)F)C1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)2-1-3-11-4-6(12)5-11/h6,12H,1-5H2
InChIKeyQAOSTFZKJZYRIF-UHFFFAOYSA-N
XLogP1.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluorobutyl)azetidin-3-ol?
The IUPAC name of 1-(4,4,4-trifluorobutyl)azetidin-3-ol (CID 115518090) is 1-(4,4,4-trifluorobutyl)azetidin-3-ol.
What is the SMILES notation for 1-(4,4,4-trifluorobutyl)azetidin-3-ol?
The canonical SMILES for 1-(4,4,4-trifluorobutyl)azetidin-3-ol is OC1CN(CCCC(F)(F)F)C1.
What is the InChIKey of 1-(4,4,4-trifluorobutyl)azetidin-3-ol?
The InChIKey is QAOSTFZKJZYRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)2-1-3-11-4-6(12)5-11/h6,12H,1-5H2.
What are the key properties of 1-(4,4,4-trifluorobutyl)azetidin-3-ol?
1-(4,4,4-trifluorobutyl)azetidin-3-ol has a molecular weight of 183.17 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobutyl)azetidin-3-ol is sourced from PubChem (CID 115518090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).