3-[(3,5-difluorophenyl)methylidene]azetidine

C10H9F2N — CID 105411336

IUPAC3-[(3,5-difluorophenyl)methylidene]azetidine
SMILESFc1cc(F)cc(C=C2CNC2)c1
InChIInChI=1S/C10H9F2N/c11-9-2-7(3-10(12)4-9)1-8-5-13-6-8/h1-4,13H,5-6H2
InChIKeyRHYQSZNRSLPXQD-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.95
Rot. Bonds1

About 3-[(3,5-difluorophenyl)methylidene]azetidine

3-[(3,5-difluorophenyl)methylidene]azetidine (PubChem CID 105411336) has the molecular formula C10H9F2N and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-[(3,5-difluorophenyl)methylidene]azetidine.

Molecular Properties

Compound Name3-[(3,5-difluorophenyl)methylidene]azetidine
PubChem CID105411336
Molecular FormulaC10H9F2N
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name3-[(3,5-difluorophenyl)methylidene]azetidine
SMILESFc1cc(F)cc(C=C2CNC2)c1
InChIInChI=1S/C10H9F2N/c11-9-2-7(3-10(12)4-9)1-8-5-13-6-8/h1-4,13H,5-6H2
InChIKeyRHYQSZNRSLPXQD-UHFFFAOYSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Mofegiline
CID 6437850
[(3,5-Difluorophenyl)methyl](methyl)amine
CID 457611
N-Methylcinnamylamine
CID 6387604
Mofegiline Hydrochloride
CID 6446650
3-Benzyl-3-fluoroazetidine
CID 59418295
2-(3,4-Difluorophenyl)prop-2-en-1-amine
CID 82503145
2-(3,4-difluorophenyl)-N-methylprop-2-en-1-amine
CID 118733584
(E)-N-Methylcinnamylamine hydrochloride
CID 17290681
4-(2,6-Difluorophenyl)-1,2,3,6-tetrahydropyridine
CID 28374427
2-(3,5-Difluorophenyl)azetidine
CID 55283267
3-[(2-Fluorophenyl)methyl]azetidine hydrochloride
CID 56811171
3-((4-Fluorophenyl)methyl)azetidine hydrochloride
CID 56828094

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluorophenyl)methylidene]azetidine?
The IUPAC name of 3-[(3,5-difluorophenyl)methylidene]azetidine (CID 105411336) is 3-[(3,5-difluorophenyl)methylidene]azetidine.
What is the SMILES notation for 3-[(3,5-difluorophenyl)methylidene]azetidine?
The canonical SMILES for 3-[(3,5-difluorophenyl)methylidene]azetidine is Fc1cc(F)cc(C=C2CNC2)c1.
What is the InChIKey of 3-[(3,5-difluorophenyl)methylidene]azetidine?
The InChIKey is RHYQSZNRSLPXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N/c11-9-2-7(3-10(12)4-9)1-8-5-13-6-8/h1-4,13H,5-6H2.
What are the key properties of 3-[(3,5-difluorophenyl)methylidene]azetidine?
3-[(3,5-difluorophenyl)methylidene]azetidine has a molecular weight of 181.19 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluorophenyl)methylidene]azetidine is sourced from PubChem (CID 105411336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).