3-(2,4-dimethylphenyl)-3-fluorocyclobutan-1-amine

C12H16FN — CID 112563918

IUPAC3-(2,4-dimethylphenyl)-3-fluorocyclobutan-1-amine
SMILESCc1ccc(C2(F)CC(N)C2)c(C)c1
InChIInChI=1S/C12H16FN/c1-8-3-4-11(9(2)5-8)12(13)6-10(14)7-12/h3-5,10H,6-7,14H2,1-2H3
InChIKeyQFHVUNPJHIDAIK-UHFFFAOYSA-N
MW193.26 g/mol
LogP2.59
Rot. Bonds1

About 3-(2,4-dimethylphenyl)-3-fluorocyclobutan-1-amine

3-(2,4-dimethylphenyl)-3-fluorocyclobutan-1-amine (PubChem CID 112563918) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-3-fluorocyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-3-fluorocyclobutan-1-amine
PubChem CID112563918
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name3-(2,4-dimethylphenyl)-3-fluorocyclobutan-1-amine
SMILESCc1ccc(C2(F)CC(N)C2)c(C)c1
InChIInChI=1S/C12H16FN/c1-8-3-4-11(9(2)5-8)12(13)6-10(14)7-12/h3-5,10H,6-7,14H2,1-2H3
InChIKeyQFHVUNPJHIDAIK-UHFFFAOYSA-N
XLogP2.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-3-fluorocyclobutan-1-amine?
The IUPAC name of 3-(2,4-dimethylphenyl)-3-fluorocyclobutan-1-amine (CID 112563918) is 3-(2,4-dimethylphenyl)-3-fluorocyclobutan-1-amine.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-3-fluorocyclobutan-1-amine?
The canonical SMILES for 3-(2,4-dimethylphenyl)-3-fluorocyclobutan-1-amine is Cc1ccc(C2(F)CC(N)C2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-3-fluorocyclobutan-1-amine?
The InChIKey is QFHVUNPJHIDAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-8-3-4-11(9(2)5-8)12(13)6-10(14)7-12/h3-5,10H,6-7,14H2,1-2H3.
What are the key properties of 3-(2,4-dimethylphenyl)-3-fluorocyclobutan-1-amine?
3-(2,4-dimethylphenyl)-3-fluorocyclobutan-1-amine has a molecular weight of 193.26 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-3-fluorocyclobutan-1-amine is sourced from PubChem (CID 112563918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).