3-(bromomethyl)-1-(2,4-difluorophenyl)azetidine

C10H10BrF2N — CID 171417189

IUPAC3-(bromomethyl)-1-(2,4-difluorophenyl)azetidine
SMILESFc1ccc(N2CC(CBr)C2)c(F)c1
InChIInChI=1S/C10H10BrF2N/c11-4-7-5-14(6-7)10-2-1-8(12)3-9(10)13/h1-3,7H,4-6H2
InChIKeyLYNVQRYNWHDYSY-UHFFFAOYSA-N
MW262.10 g/mol
LogP2.80
Rot. Bonds2

About 3-(bromomethyl)-1-(2,4-difluorophenyl)azetidine

3-(bromomethyl)-1-(2,4-difluorophenyl)azetidine (PubChem CID 171417189) has the molecular formula C10H10BrF2N and a molecular weight of 262.10 g/mol. Its IUPAC name is 3-(bromomethyl)-1-(2,4-difluorophenyl)azetidine.

Molecular Properties

Compound Name3-(bromomethyl)-1-(2,4-difluorophenyl)azetidine
PubChem CID171417189
Molecular FormulaC10H10BrF2N
Molecular Weight262.10 g/mol
Exact Mass261.00
IUPAC Name3-(bromomethyl)-1-(2,4-difluorophenyl)azetidine
SMILESFc1ccc(N2CC(CBr)C2)c(F)c1
InChIInChI=1S/C10H10BrF2N/c11-4-7-5-14(6-7)10-2-1-8(12)3-9(10)13/h1-3,7H,4-6H2
InChIKeyLYNVQRYNWHDYSY-UHFFFAOYSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-2,5-difluorophenyl)-3-ethylazetidine
CID 107612888
[4-(2,4-difluorophenyl)-6-methylmorpholin-2-yl]methanamine
CID 82293325
1-(2,4-difluorophenyl)piperazin-4-ium
CID 7004236
2-(3-ethylazetidin-1-yl)-5-fluoroaniline
CID 79689428
1-(2,4-difluorophenyl)piperidin-4-ol
CID 10584688
2-chloro-N-[3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 68855710
1-(2,4-difluorophenyl)-N-ethyl-5-methylpiperidin-3-amine
CID 83990463
1-(2-bromo-4-fluorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505696
2-[4-(bromomethyl)-2-fluorophenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 107084819
N-cyclopropyl-1-(2,4-difluorophenyl)-5-methylpiperidin-3-amine
CID 83991736
8-(2,4-difluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 20770651
1-(2,4-difluorophenyl)-3-propylpiperazine
CID 64925789

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-1-(2,4-difluorophenyl)azetidine?
The IUPAC name of 3-(bromomethyl)-1-(2,4-difluorophenyl)azetidine (CID 171417189) is 3-(bromomethyl)-1-(2,4-difluorophenyl)azetidine.
What is the SMILES notation for 3-(bromomethyl)-1-(2,4-difluorophenyl)azetidine?
The canonical SMILES for 3-(bromomethyl)-1-(2,4-difluorophenyl)azetidine is Fc1ccc(N2CC(CBr)C2)c(F)c1.
What is the InChIKey of 3-(bromomethyl)-1-(2,4-difluorophenyl)azetidine?
The InChIKey is LYNVQRYNWHDYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2N/c11-4-7-5-14(6-7)10-2-1-8(12)3-9(10)13/h1-3,7H,4-6H2.
What are the key properties of 3-(bromomethyl)-1-(2,4-difluorophenyl)azetidine?
3-(bromomethyl)-1-(2,4-difluorophenyl)azetidine has a molecular weight of 262.10 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-1-(2,4-difluorophenyl)azetidine is sourced from PubChem (CID 171417189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).