(2S)-2-(2,3,5,6-tetrafluorophenyl)azetidine

C9H7F4N — CID 130618246

IUPAC(2S)-2-(2,3,5,6-tetrafluorophenyl)azetidine
SMILESFc1cc(F)c(F)c([C@@H]2CCN2)c1F
InChIInChI=1S/C9H7F4N/c10-4-3-5(11)9(13)7(8(4)12)6-1-2-14-6/h3,6,14H,1-2H2/t6-/m0/s1
InChIKeyNBRVMTFXBRRANT-LURJTMIESA-N
MW205.15 g/mol
LogP2.28
Rot. Bonds1

About (2S)-2-(2,3,5,6-tetrafluorophenyl)azetidine

(2S)-2-(2,3,5,6-tetrafluorophenyl)azetidine (PubChem CID 130618246) has the molecular formula C9H7F4N and a molecular weight of 205.15 g/mol. Its IUPAC name is (2S)-2-(2,3,5,6-tetrafluorophenyl)azetidine.

Molecular Properties

Compound Name(2S)-2-(2,3,5,6-tetrafluorophenyl)azetidine
PubChem CID130618246
Molecular FormulaC9H7F4N
Molecular Weight205.15 g/mol
Exact Mass205.05
IUPAC Name(2S)-2-(2,3,5,6-tetrafluorophenyl)azetidine
SMILESFc1cc(F)c(F)c([C@@H]2CCN2)c1F
InChIInChI=1S/C9H7F4N/c10-4-3-5(11)9(13)7(8(4)12)6-1-2-14-6/h3,6,14H,1-2H2/t6-/m0/s1
InChIKeyNBRVMTFXBRRANT-LURJTMIESA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.15
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3,5,6-tetrafluorophenyl)azetidine?
The IUPAC name of (2S)-2-(2,3,5,6-tetrafluorophenyl)azetidine (CID 130618246) is (2S)-2-(2,3,5,6-tetrafluorophenyl)azetidine.
What is the SMILES notation for (2S)-2-(2,3,5,6-tetrafluorophenyl)azetidine?
The canonical SMILES for (2S)-2-(2,3,5,6-tetrafluorophenyl)azetidine is Fc1cc(F)c(F)c([C@@H]2CCN2)c1F.
What is the InChIKey of (2S)-2-(2,3,5,6-tetrafluorophenyl)azetidine?
The InChIKey is NBRVMTFXBRRANT-LURJTMIESA-N. The full InChI is InChI=1S/C9H7F4N/c10-4-3-5(11)9(13)7(8(4)12)6-1-2-14-6/h3,6,14H,1-2H2/t6-/m0/s1.
What are the key properties of (2S)-2-(2,3,5,6-tetrafluorophenyl)azetidine?
(2S)-2-(2,3,5,6-tetrafluorophenyl)azetidine has a molecular weight of 205.15 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3,5,6-tetrafluorophenyl)azetidine is sourced from PubChem (CID 130618246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).