3-[(2,3-difluorophenyl)-fluoromethyl]azetidine

C10H10F3N — CID 122704793

IUPAC3-[(2,3-difluorophenyl)-fluoromethyl]azetidine
SMILESFc1cccc(C(F)C2CNC2)c1F
InChIInChI=1S/C10H10F3N/c11-8-3-1-2-7(10(8)13)9(12)6-4-14-5-6/h1-3,6,9,14H,4-5H2
InChIKeyRLGIEZBEUYYQDX-UHFFFAOYSA-N
MW201.19 g/mol
LogP2.19
Rot. Bonds2

About 3-[(2,3-difluorophenyl)-fluoromethyl]azetidine

3-[(2,3-difluorophenyl)-fluoromethyl]azetidine (PubChem CID 122704793) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is 3-[(2,3-difluorophenyl)-fluoromethyl]azetidine.

Molecular Properties

Compound Name3-[(2,3-difluorophenyl)-fluoromethyl]azetidine
PubChem CID122704793
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC Name3-[(2,3-difluorophenyl)-fluoromethyl]azetidine
SMILESFc1cccc(C(F)C2CNC2)c1F
InChIInChI=1S/C10H10F3N/c11-8-3-1-2-7(10(8)13)9(12)6-4-14-5-6/h1-3,6,9,14H,4-5H2
InChIKeyRLGIEZBEUYYQDX-UHFFFAOYSA-N
XLogP2.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluorophenyl)-fluoromethyl]azetidine?
The IUPAC name of 3-[(2,3-difluorophenyl)-fluoromethyl]azetidine (CID 122704793) is 3-[(2,3-difluorophenyl)-fluoromethyl]azetidine.
What is the SMILES notation for 3-[(2,3-difluorophenyl)-fluoromethyl]azetidine?
The canonical SMILES for 3-[(2,3-difluorophenyl)-fluoromethyl]azetidine is Fc1cccc(C(F)C2CNC2)c1F.
What is the InChIKey of 3-[(2,3-difluorophenyl)-fluoromethyl]azetidine?
The InChIKey is RLGIEZBEUYYQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N/c11-8-3-1-2-7(10(8)13)9(12)6-4-14-5-6/h1-3,6,9,14H,4-5H2.
What are the key properties of 3-[(2,3-difluorophenyl)-fluoromethyl]azetidine?
3-[(2,3-difluorophenyl)-fluoromethyl]azetidine has a molecular weight of 201.19 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-difluorophenyl)-fluoromethyl]azetidine is sourced from PubChem (CID 122704793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).