2-[cyclopentyl(difluoro)methyl]azetidine

C9H15F2N — CID 105436123

IUPAC2-[cyclopentyl(difluoro)methyl]azetidine
SMILESFC(F)(C1CCCC1)C1CCN1
InChIInChI=1S/C9H15F2N/c10-9(11,8-5-6-12-8)7-3-1-2-4-7/h7-8,12H,1-6H2
InChIKeyBGLBVKJWJLYQAX-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.17
Rot. Bonds2

About 2-[cyclopentyl(difluoro)methyl]azetidine

2-[cyclopentyl(difluoro)methyl]azetidine (PubChem CID 105436123) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 2-[cyclopentyl(difluoro)methyl]azetidine.

Molecular Properties

Compound Name2-[cyclopentyl(difluoro)methyl]azetidine
PubChem CID105436123
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name2-[cyclopentyl(difluoro)methyl]azetidine
SMILESFC(F)(C1CCCC1)C1CCN1
InChIInChI=1S/C9H15F2N/c10-9(11,8-5-6-12-8)7-3-1-2-4-7/h7-8,12H,1-6H2
InChIKeyBGLBVKJWJLYQAX-UHFFFAOYSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(difluoro)methyl]azetidine?
The IUPAC name of 2-[cyclopentyl(difluoro)methyl]azetidine (CID 105436123) is 2-[cyclopentyl(difluoro)methyl]azetidine.
What is the SMILES notation for 2-[cyclopentyl(difluoro)methyl]azetidine?
The canonical SMILES for 2-[cyclopentyl(difluoro)methyl]azetidine is FC(F)(C1CCCC1)C1CCN1.
What is the InChIKey of 2-[cyclopentyl(difluoro)methyl]azetidine?
The InChIKey is BGLBVKJWJLYQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c10-9(11,8-5-6-12-8)7-3-1-2-4-7/h7-8,12H,1-6H2.
What are the key properties of 2-[cyclopentyl(difluoro)methyl]azetidine?
2-[cyclopentyl(difluoro)methyl]azetidine has a molecular weight of 175.22 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(difluoro)methyl]azetidine is sourced from PubChem (CID 105436123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).