1-[(2,3-difluorophenyl)methyl]azetidine

C10H11F2N — CID 126989798

IUPAC1-[(2,3-difluorophenyl)methyl]azetidine
SMILESFc1cccc(CN2CCC2)c1F
InChIInChI=1S/C10H11F2N/c11-9-4-1-3-8(10(9)12)7-13-5-2-6-13/h1,3-4H,2,5-7H2
InChIKeyVLJXHHNYNPLTTO-UHFFFAOYSA-N
MW183.20 g/mol
LogP2.17
Rot. Bonds2

About 1-[(2,3-difluorophenyl)methyl]azetidine

1-[(2,3-difluorophenyl)methyl]azetidine (PubChem CID 126989798) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]azetidine.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]azetidine
PubChem CID126989798
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name1-[(2,3-difluorophenyl)methyl]azetidine
SMILESFc1cccc(CN2CCC2)c1F
InChIInChI=1S/C10H11F2N/c11-9-4-1-3-8(10(9)12)7-13-5-2-6-13/h1,3-4H,2,5-7H2
InChIKeyVLJXHHNYNPLTTO-UHFFFAOYSA-N
XLogP2.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,3-difluorophenyl)methyl]-4-propan-2-ylpiperazine
CID 170657560
1-[(2,3-difluorophenyl)methyl]-4-pyrrolidin-1-ylsulfonylpiperazine
CID 47023387
2-fluoro-3-(pyrrolidin-1-ylmethyl)phenol
CID 68619301
1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 54923675
1-[(2,3-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 75470128
[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methanamine
CID 43658934
6-[4-[(2,3-difluorophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-amine
CID 67519532
10-[(2,3-difluorophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64869501
6-[4-[(2,3-difluorophenyl)methyl]-1,4-diazepan-1-yl]pyridine-2-carboxamide
CID 173077876
1-[(2,3-difluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 114502450
1-[(2,3-difluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 54923818
[2-fluoro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine
CID 107113059

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]azetidine?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]azetidine (CID 126989798) is 1-[(2,3-difluorophenyl)methyl]azetidine.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]azetidine?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]azetidine is Fc1cccc(CN2CCC2)c1F.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]azetidine?
The InChIKey is VLJXHHNYNPLTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N/c11-9-4-1-3-8(10(9)12)7-13-5-2-6-13/h1,3-4H,2,5-7H2.
What are the key properties of 1-[(2,3-difluorophenyl)methyl]azetidine?
1-[(2,3-difluorophenyl)methyl]azetidine has a molecular weight of 183.20 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]azetidine is sourced from PubChem (CID 126989798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).