1-(2-chloro-6-fluorophenyl)-2-methylcyclobutan-1-amine

C11H13ClFN — CID 66431353

IUPAC1-(2-chloro-6-fluorophenyl)-2-methylcyclobutan-1-amine
SMILESCC1CCC1(N)c1c(F)cccc1Cl
InChIInChI=1S/C11H13ClFN/c1-7-5-6-11(7,14)10-8(12)3-2-4-9(10)13/h2-4,7H,5-6,14H2,1H3
InChIKeyBMSJUEUEAYLFKU-UHFFFAOYSA-N
MW213.68 g/mol
LogP3.06
Rot. Bonds1

About 1-(2-chloro-6-fluorophenyl)-2-methylcyclobutan-1-amine

1-(2-chloro-6-fluorophenyl)-2-methylcyclobutan-1-amine (PubChem CID 66431353) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-2-methylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-2-methylcyclobutan-1-amine
PubChem CID66431353
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name1-(2-chloro-6-fluorophenyl)-2-methylcyclobutan-1-amine
SMILESCC1CCC1(N)c1c(F)cccc1Cl
InChIInChI=1S/C11H13ClFN/c1-7-5-6-11(7,14)10-8(12)3-2-4-9(10)13/h2-4,7H,5-6,14H2,1H3
InChIKeyBMSJUEUEAYLFKU-UHFFFAOYSA-N
XLogP3.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-methylcyclobutan-1-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-methylcyclobutan-1-amine (CID 66431353) is 1-(2-chloro-6-fluorophenyl)-2-methylcyclobutan-1-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-2-methylcyclobutan-1-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-2-methylcyclobutan-1-amine is CC1CCC1(N)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-2-methylcyclobutan-1-amine?
The InChIKey is BMSJUEUEAYLFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c1-7-5-6-11(7,14)10-8(12)3-2-4-9(10)13/h2-4,7H,5-6,14H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-2-methylcyclobutan-1-amine?
1-(2-chloro-6-fluorophenyl)-2-methylcyclobutan-1-amine has a molecular weight of 213.68 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-2-methylcyclobutan-1-amine is sourced from PubChem (CID 66431353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).