3-[(3,4-difluorophenyl)methyl]-3-fluorocyclobutan-1-amine

C11H12F3N — CID 112563919

IUPAC3-[(3,4-difluorophenyl)methyl]-3-fluorocyclobutan-1-amine
SMILESNC1CC(F)(Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C11H12F3N/c12-9-2-1-7(3-10(9)13)4-11(14)5-8(15)6-11/h1-3,8H,4-6,15H2
InChIKeyRMJBJTOIZCKJEA-UHFFFAOYSA-N
MW215.22 g/mol
LogP2.34
Rot. Bonds2

About 3-[(3,4-difluorophenyl)methyl]-3-fluorocyclobutan-1-amine

3-[(3,4-difluorophenyl)methyl]-3-fluorocyclobutan-1-amine (PubChem CID 112563919) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)methyl]-3-fluorocyclobutan-1-amine.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)methyl]-3-fluorocyclobutan-1-amine
PubChem CID112563919
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name3-[(3,4-difluorophenyl)methyl]-3-fluorocyclobutan-1-amine
SMILESNC1CC(F)(Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C11H12F3N/c12-9-2-1-7(3-10(9)13)4-11(14)5-8(15)6-11/h1-3,8H,4-6,15H2
InChIKeyRMJBJTOIZCKJEA-UHFFFAOYSA-N
XLogP2.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine
CID 107889770
3-[(4-chlorophenyl)methyl]-3-fluorocyclobutan-1-amine
CID 112563994
3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclohexan-1-amine
CID 114013147
1-[(3,4-difluorophenyl)methyl]-3-methylcyclobutan-1-ol
CID 103564715
3-[(2-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine
CID 112655178
2-[(3,4-difluorophenyl)methyl]cyclobutan-1-amine
CID 82935009
4-[[1-(chloromethyl)cyclopropyl]methyl]-1,2-difluorobenzene
CID 82935489
4-(cyclobutylmethyl)-1,2-difluorobenzene
CID 58414524
3-fluoro-3-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 112565666
3-[(3,4-difluorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 116539016
1-[(3,4-difluorophenyl)methyl]-4-propylcycloheptan-1-amine
CID 82919808
1-[(3,4-difluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449890

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)methyl]-3-fluorocyclobutan-1-amine?
The IUPAC name of 3-[(3,4-difluorophenyl)methyl]-3-fluorocyclobutan-1-amine (CID 112563919) is 3-[(3,4-difluorophenyl)methyl]-3-fluorocyclobutan-1-amine.
What is the SMILES notation for 3-[(3,4-difluorophenyl)methyl]-3-fluorocyclobutan-1-amine?
The canonical SMILES for 3-[(3,4-difluorophenyl)methyl]-3-fluorocyclobutan-1-amine is NC1CC(F)(Cc2ccc(F)c(F)c2)C1.
What is the InChIKey of 3-[(3,4-difluorophenyl)methyl]-3-fluorocyclobutan-1-amine?
The InChIKey is RMJBJTOIZCKJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N/c12-9-2-1-7(3-10(9)13)4-11(14)5-8(15)6-11/h1-3,8H,4-6,15H2.
What are the key properties of 3-[(3,4-difluorophenyl)methyl]-3-fluorocyclobutan-1-amine?
3-[(3,4-difluorophenyl)methyl]-3-fluorocyclobutan-1-amine has a molecular weight of 215.22 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)methyl]-3-fluorocyclobutan-1-amine is sourced from PubChem (CID 112563919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).