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

C8H15F2N — CID 118000455

IUPAC3,3-difluoro-1-(3-methylbutyl)azetidine
SMILESCC(C)CCN1CC(F)(F)C1
InChIInChI=1S/C8H15F2N/c1-7(2)3-4-11-5-8(9,10)6-11/h7H,3-6H2,1-2H3
InChIKeySDSCIMYTUKYOJB-UHFFFAOYSA-N
MW163.21 g/mol
LogP1.98
Rot. Bonds3

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

3,3-difluoro-1-(3-methylbutyl)azetidine (PubChem CID 118000455) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 3,3-difluoro-1-(3-methylbutyl)azetidine.

Molecular Properties

Compound Name3,3-difluoro-1-(3-methylbutyl)azetidine
PubChem CID118000455
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name3,3-difluoro-1-(3-methylbutyl)azetidine
SMILESCC(C)CCN1CC(F)(F)C1
InChIInChI=1S/C8H15F2N/c1-7(2)3-4-11-5-8(9,10)6-11/h7H,3-6H2,1-2H3
InChIKeySDSCIMYTUKYOJB-UHFFFAOYSA-N
XLogP1.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 51.98
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-methylbutyl)azetidine?
The IUPAC name of 3,3-difluoro-1-(3-methylbutyl)azetidine (CID 118000455) is 3,3-difluoro-1-(3-methylbutyl)azetidine.
What is the SMILES notation for 3,3-difluoro-1-(3-methylbutyl)azetidine?
The canonical SMILES for 3,3-difluoro-1-(3-methylbutyl)azetidine is CC(C)CCN1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(3-methylbutyl)azetidine?
The InChIKey is SDSCIMYTUKYOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-7(2)3-4-11-5-8(9,10)6-11/h7H,3-6H2,1-2H3.
What are the key properties of 3,3-difluoro-1-(3-methylbutyl)azetidine?
3,3-difluoro-1-(3-methylbutyl)azetidine has a molecular weight of 163.21 g/mol, XLogP of 1.98, 3 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-methylbutyl)azetidine is sourced from PubChem (CID 118000455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).