3-(4,4,4-trifluorobutyl)azetidine

C7H12F3N — CID 67060873

IUPAC3-(4,4,4-trifluorobutyl)azetidine
SMILESFC(F)(F)CCCC1CNC1
InChIInChI=1S/C7H12F3N/c8-7(9,10)3-1-2-6-4-11-5-6/h6,11H,1-5H2
InChIKeyOLFVEKRSWBCMKJ-UHFFFAOYSA-N
MW167.17 g/mol
LogP1.94
Rot. Bonds3

About 3-(4,4,4-trifluorobutyl)azetidine

3-(4,4,4-trifluorobutyl)azetidine (PubChem CID 67060873) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is 3-(4,4,4-trifluorobutyl)azetidine.

Molecular Properties

Compound Name3-(4,4,4-trifluorobutyl)azetidine
PubChem CID67060873
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name3-(4,4,4-trifluorobutyl)azetidine
SMILESFC(F)(F)CCCC1CNC1
InChIInChI=1S/C7H12F3N/c8-7(9,10)3-1-2-6-4-11-5-6/h6,11H,1-5H2
InChIKeyOLFVEKRSWBCMKJ-UHFFFAOYSA-N
XLogP1.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4,4-trifluorobutyl)azetidine?
The IUPAC name of 3-(4,4,4-trifluorobutyl)azetidine (CID 67060873) is 3-(4,4,4-trifluorobutyl)azetidine.
What is the SMILES notation for 3-(4,4,4-trifluorobutyl)azetidine?
The canonical SMILES for 3-(4,4,4-trifluorobutyl)azetidine is FC(F)(F)CCCC1CNC1.
What is the InChIKey of 3-(4,4,4-trifluorobutyl)azetidine?
The InChIKey is OLFVEKRSWBCMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c8-7(9,10)3-1-2-6-4-11-5-6/h6,11H,1-5H2.
What are the key properties of 3-(4,4,4-trifluorobutyl)azetidine?
3-(4,4,4-trifluorobutyl)azetidine has a molecular weight of 167.17 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4,4-trifluorobutyl)azetidine is sourced from PubChem (CID 67060873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).