3-[(3,3-dimethylcyclobutyl)methyl]-3-fluoroazetidine

C10H18FN — CID 122239883

IUPAC3-[(3,3-dimethylcyclobutyl)methyl]-3-fluoroazetidine
SMILESCC1(C)CC(CC2(F)CNC2)C1
InChIInChI=1S/C10H18FN/c1-9(2)3-8(4-9)5-10(11)6-12-7-10/h8,12H,3-7H2,1-2H3
InChIKeyYDABSVCPZLRSFJ-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.12
Rot. Bonds2

About 3-[(3,3-dimethylcyclobutyl)methyl]-3-fluoroazetidine

3-[(3,3-dimethylcyclobutyl)methyl]-3-fluoroazetidine (PubChem CID 122239883) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 3-[(3,3-dimethylcyclobutyl)methyl]-3-fluoroazetidine.

Molecular Properties

Compound Name3-[(3,3-dimethylcyclobutyl)methyl]-3-fluoroazetidine
PubChem CID122239883
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name3-[(3,3-dimethylcyclobutyl)methyl]-3-fluoroazetidine
SMILESCC1(C)CC(CC2(F)CNC2)C1
InChIInChI=1S/C10H18FN/c1-9(2)3-8(4-9)5-10(11)6-12-7-10/h8,12H,3-7H2,1-2H3
InChIKeyYDABSVCPZLRSFJ-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-dimethylcyclobutyl)methyl]-3-fluoroazetidine?
The IUPAC name of 3-[(3,3-dimethylcyclobutyl)methyl]-3-fluoroazetidine (CID 122239883) is 3-[(3,3-dimethylcyclobutyl)methyl]-3-fluoroazetidine.
What is the SMILES notation for 3-[(3,3-dimethylcyclobutyl)methyl]-3-fluoroazetidine?
The canonical SMILES for 3-[(3,3-dimethylcyclobutyl)methyl]-3-fluoroazetidine is CC1(C)CC(CC2(F)CNC2)C1.
What is the InChIKey of 3-[(3,3-dimethylcyclobutyl)methyl]-3-fluoroazetidine?
The InChIKey is YDABSVCPZLRSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-9(2)3-8(4-9)5-10(11)6-12-7-10/h8,12H,3-7H2,1-2H3.
What are the key properties of 3-[(3,3-dimethylcyclobutyl)methyl]-3-fluoroazetidine?
3-[(3,3-dimethylcyclobutyl)methyl]-3-fluoroazetidine has a molecular weight of 171.26 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-dimethylcyclobutyl)methyl]-3-fluoroazetidine is sourced from PubChem (CID 122239883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).