3-[(2-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine

C11H12ClF2N — CID 112655178

IUPAC3-[(2-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine
SMILESNC1CC(F)(Cc2cccc(F)c2Cl)C1
InChIInChI=1S/C11H12ClF2N/c12-10-7(2-1-3-9(10)13)4-11(14)5-8(15)6-11/h1-3,8H,4-6,15H2
InChIKeyYJLKMLBRYJIUHY-UHFFFAOYSA-N
MW231.67 g/mol
LogP2.85
Rot. Bonds2

About 3-[(2-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine

3-[(2-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine (PubChem CID 112655178) has the molecular formula C11H12ClF2N and a molecular weight of 231.67 g/mol. Its IUPAC name is 3-[(2-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine.

Molecular Properties

Compound Name3-[(2-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine
PubChem CID112655178
Molecular FormulaC11H12ClF2N
Molecular Weight231.67 g/mol
Exact Mass231.06
IUPAC Name3-[(2-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine
SMILESNC1CC(F)(Cc2cccc(F)c2Cl)C1
InChIInChI=1S/C11H12ClF2N/c12-10-7(2-1-3-9(10)13)4-11(14)5-8(15)6-11/h1-3,8H,4-6,15H2
InChIKeyYJLKMLBRYJIUHY-UHFFFAOYSA-N
XLogP2.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.67
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-1-[(2-chloro-3-fluorophenyl)methyl]cyclobutan-1-ol
CID 112653138
3-[(2-chloro-3-fluorophenyl)methyl]-3-fluoropyrrolidine
CID 112655179
[3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanamine
CID 112654253
[1-[(2-chloro-3-fluorophenyl)methyl]cyclopropyl]methanamine
CID 112654232
1-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 112653078
4-[(3-chloro-2-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine
CID 102864805
3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine
CID 107889770
1-[(2-chloro-3-fluorophenyl)methyl]-3-cyclopropylcyclohexan-1-ol
CID 112653080
1-(bromomethyl)-2-chloro-3-fluorobenzene
CID 44782644
1-[(2-chloro-3-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961208
2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene
CID 173100406
[1-[(2-chloro-3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 112654779

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine?
The IUPAC name of 3-[(2-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine (CID 112655178) is 3-[(2-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine.
What is the SMILES notation for 3-[(2-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine?
The canonical SMILES for 3-[(2-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine is NC1CC(F)(Cc2cccc(F)c2Cl)C1.
What is the InChIKey of 3-[(2-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine?
The InChIKey is YJLKMLBRYJIUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2N/c12-10-7(2-1-3-9(10)13)4-11(14)5-8(15)6-11/h1-3,8H,4-6,15H2.
What are the key properties of 3-[(2-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine?
3-[(2-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine has a molecular weight of 231.67 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine is sourced from PubChem (CID 112655178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).