3-[cyclopentyl(difluoro)methyl]azetidine

C9H15F2N — CID 105436127

IUPAC3-[cyclopentyl(difluoro)methyl]azetidine
SMILESFC(F)(C1CCCC1)C1CNC1
InChIInChI=1S/C9H15F2N/c10-9(11,8-5-12-6-8)7-3-1-2-4-7/h7-8,12H,1-6H2
InChIKeyNOLJVZAYIQLGLS-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.03
Rot. Bonds2

About 3-[cyclopentyl(difluoro)methyl]azetidine

3-[cyclopentyl(difluoro)methyl]azetidine (PubChem CID 105436127) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 3-[cyclopentyl(difluoro)methyl]azetidine.

Molecular Properties

Compound Name3-[cyclopentyl(difluoro)methyl]azetidine
PubChem CID105436127
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name3-[cyclopentyl(difluoro)methyl]azetidine
SMILESFC(F)(C1CCCC1)C1CNC1
InChIInChI=1S/C9H15F2N/c10-9(11,8-5-12-6-8)7-3-1-2-4-7/h7-8,12H,1-6H2
InChIKeyNOLJVZAYIQLGLS-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[cyclobutyl(difluoro)methyl]piperidine
CID 105443675
4-[cyclobutyl(difluoro)methyl]piperidine
CID 105443676
2-[cyclopentyl(difluoro)methyl]azetidine
CID 105436123
3-(1-cyclopropyl-1-fluoroethyl)piperidine
CID 112564879
3-(1,1-difluoro-2-methylpropyl)piperidine
CID 83855168
[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentane
CID 175402800
2-(1-fluoro-1-piperidin-3-ylethyl)piperidine
CID 112565009
3-(1,1-difluoropropyl)piperidine;hydrochloride
CID 115058466
3-tert-butylazetidine;bis(tert-butylcyclobutane);tetrakis(tert-butylcyclopentane);3-tert-butyloxetane
CID 161214182
(1R,6R)-10-(trifluoromethyl)-8-azabicyclo[4.3.1]decan-10-ol
CID 98113046
3-(2-fluorobut-3-en-2-yl)piperidine
CID 112564785
2-fluoro-2-piperidin-3-ylpropan-1-amine
CID 105431462

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(difluoro)methyl]azetidine?
The IUPAC name of 3-[cyclopentyl(difluoro)methyl]azetidine (CID 105436127) is 3-[cyclopentyl(difluoro)methyl]azetidine.
What is the SMILES notation for 3-[cyclopentyl(difluoro)methyl]azetidine?
The canonical SMILES for 3-[cyclopentyl(difluoro)methyl]azetidine is FC(F)(C1CCCC1)C1CNC1.
What is the InChIKey of 3-[cyclopentyl(difluoro)methyl]azetidine?
The InChIKey is NOLJVZAYIQLGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c10-9(11,8-5-12-6-8)7-3-1-2-4-7/h7-8,12H,1-6H2.
What are the key properties of 3-[cyclopentyl(difluoro)methyl]azetidine?
3-[cyclopentyl(difluoro)methyl]azetidine has a molecular weight of 175.22 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(difluoro)methyl]azetidine is sourced from PubChem (CID 105436127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).