1-[(2-chlorophenyl)-(4-fluorophenyl)methyl]azetidine

C16H15ClFN — CID 141103100

IUPAC1-[(2-chlorophenyl)-(4-fluorophenyl)methyl]azetidine
SMILESFc1ccc(C(c2ccccc2Cl)N2CCC2)cc1
InChIInChI=1S/C16H15ClFN/c17-15-5-2-1-4-14(15)16(19-10-3-11-19)12-6-8-13(18)9-7-12/h1-2,4-9,16H,3,10-11H2
InChIKeyXSMPDORGVGJVTP-UHFFFAOYSA-N
MW275.75 g/mol
LogP4.27
Rot. Bonds3

About 1-[(2-chlorophenyl)-(4-fluorophenyl)methyl]azetidine

1-[(2-chlorophenyl)-(4-fluorophenyl)methyl]azetidine (PubChem CID 141103100) has the molecular formula C16H15ClFN and a molecular weight of 275.75 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)-(4-fluorophenyl)methyl]azetidine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)-(4-fluorophenyl)methyl]azetidine
PubChem CID141103100
Molecular FormulaC16H15ClFN
Molecular Weight275.75 g/mol
Exact Mass275.09
IUPAC Name1-[(2-chlorophenyl)-(4-fluorophenyl)methyl]azetidine
SMILESFc1ccc(C(c2ccccc2Cl)N2CCC2)cc1
InChIInChI=1S/C16H15ClFN/c17-15-5-2-1-4-14(15)16(19-10-3-11-19)12-6-8-13(18)9-7-12/h1-2,4-9,16H,3,10-11H2
InChIKeyXSMPDORGVGJVTP-UHFFFAOYSA-N
XLogP4.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.75
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-bromophenyl)-(2-chlorophenyl)methyl]-1,4-diazepane
CID 3736535
1-[(2-chloro-4-fluorophenyl)-phenylmethyl]piperazine
CID 45277417
1-[(4-fluorophenyl)-naphthalen-1-ylmethyl]-1,4-diazepane
CID 3730605
2-[(4-fluorophenyl)-morpholin-4-ylmethyl]phenol
CID 102355502
1-[[2-chloro-5-(trifluoromethyl)phenyl]-(4-phenylphenyl)methyl]-1,4-diazepane
CID 3769891
1-[(2-chlorophenyl)-(3,4-dimethylphenyl)methyl]piperazine
CID 4738612
1-[(2-chlorophenyl)-(3-methylphenyl)methyl]-1,4-diazepane
CID 3259309
1-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 3465091
4-[(2-chlorophenyl)-phenylmethyl]-1,1-diethylpiperazin-1-ium
CID 3030285
1-(3-chloro-2-fluorophenyl)sulfonyl-4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazine
CID 92772065
1-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]-1,4-diazepane
CID 3770388
1-[(2-bromophenyl)-(2-chlorophenyl)methyl]-1,4-diazepane
CID 3773387

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)-(4-fluorophenyl)methyl]azetidine?
The IUPAC name of 1-[(2-chlorophenyl)-(4-fluorophenyl)methyl]azetidine (CID 141103100) is 1-[(2-chlorophenyl)-(4-fluorophenyl)methyl]azetidine.
What is the SMILES notation for 1-[(2-chlorophenyl)-(4-fluorophenyl)methyl]azetidine?
The canonical SMILES for 1-[(2-chlorophenyl)-(4-fluorophenyl)methyl]azetidine is Fc1ccc(C(c2ccccc2Cl)N2CCC2)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)-(4-fluorophenyl)methyl]azetidine?
The InChIKey is XSMPDORGVGJVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN/c17-15-5-2-1-4-14(15)16(19-10-3-11-19)12-6-8-13(18)9-7-12/h1-2,4-9,16H,3,10-11H2.
What are the key properties of 1-[(2-chlorophenyl)-(4-fluorophenyl)methyl]azetidine?
1-[(2-chlorophenyl)-(4-fluorophenyl)methyl]azetidine has a molecular weight of 275.75 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)-(4-fluorophenyl)methyl]azetidine is sourced from PubChem (CID 141103100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).