3,3-difluoro-1-(3-fluorohexyl)azetidine

C9H16F3N — CID 139476963

IUPAC3,3-difluoro-1-(3-fluorohexyl)azetidine
SMILESCCCC(F)CCN1CC(F)(F)C1
InChIInChI=1S/C9H16F3N/c1-2-3-8(10)4-5-13-6-9(11,12)7-13/h8H,2-7H2,1H3
InChIKeyXTETZTPPCYYIBJ-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.47
Rot. Bonds5

About 3,3-difluoro-1-(3-fluorohexyl)azetidine

3,3-difluoro-1-(3-fluorohexyl)azetidine (PubChem CID 139476963) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is 3,3-difluoro-1-(3-fluorohexyl)azetidine.

Molecular Properties

Compound Name3,3-difluoro-1-(3-fluorohexyl)azetidine
PubChem CID139476963
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name3,3-difluoro-1-(3-fluorohexyl)azetidine
SMILESCCCC(F)CCN1CC(F)(F)C1
InChIInChI=1S/C9H16F3N/c1-2-3-8(10)4-5-13-6-9(11,12)7-13/h8H,2-7H2,1H3
InChIKeyXTETZTPPCYYIBJ-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(3-fluorohexyl)azetidine?
The IUPAC name of 3,3-difluoro-1-(3-fluorohexyl)azetidine (CID 139476963) is 3,3-difluoro-1-(3-fluorohexyl)azetidine.
What is the SMILES notation for 3,3-difluoro-1-(3-fluorohexyl)azetidine?
The canonical SMILES for 3,3-difluoro-1-(3-fluorohexyl)azetidine is CCCC(F)CCN1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(3-fluorohexyl)azetidine?
The InChIKey is XTETZTPPCYYIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-2-3-8(10)4-5-13-6-9(11,12)7-13/h8H,2-7H2,1H3.
What are the key properties of 3,3-difluoro-1-(3-fluorohexyl)azetidine?
3,3-difluoro-1-(3-fluorohexyl)azetidine has a molecular weight of 195.23 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(3-fluorohexyl)azetidine is sourced from PubChem (CID 139476963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).