1-(5,6-difluoro-2-methylcyclohex-3-en-1-yl)cyclobutan-1-amine

C11H17F2N — CID 129056499

IUPAC1-(5,6-difluoro-2-methylcyclohex-3-en-1-yl)cyclobutan-1-amine
SMILESCC1C=CC(F)C(F)C1C1(N)CCC1
InChIInChI=1S/C11H17F2N/c1-7-3-4-8(12)10(13)9(7)11(14)5-2-6-11/h3-4,7-10H,2,5-6,14H2,1H3
InChIKeyGPXMSAFKJLIMPA-UHFFFAOYSA-N
MW201.26 g/mol
LogP2.37
Rot. Bonds1

About 1-(5,6-difluoro-2-methylcyclohex-3-en-1-yl)cyclobutan-1-amine

1-(5,6-difluoro-2-methylcyclohex-3-en-1-yl)cyclobutan-1-amine (PubChem CID 129056499) has the molecular formula C11H17F2N and a molecular weight of 201.26 g/mol. Its IUPAC name is 1-(5,6-difluoro-2-methylcyclohex-3-en-1-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(5,6-difluoro-2-methylcyclohex-3-en-1-yl)cyclobutan-1-amine
PubChem CID129056499
Molecular FormulaC11H17F2N
Molecular Weight201.26 g/mol
Exact Mass201.13
IUPAC Name1-(5,6-difluoro-2-methylcyclohex-3-en-1-yl)cyclobutan-1-amine
SMILESCC1C=CC(F)C(F)C1C1(N)CCC1
InChIInChI=1S/C11H17F2N/c1-7-3-4-8(12)10(13)9(7)11(14)5-2-6-11/h3-4,7-10H,2,5-6,14H2,1H3
InChIKeyGPXMSAFKJLIMPA-UHFFFAOYSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-difluoro-2-methylcyclohex-3-en-1-yl)cyclobutan-1-amine?
The IUPAC name of 1-(5,6-difluoro-2-methylcyclohex-3-en-1-yl)cyclobutan-1-amine (CID 129056499) is 1-(5,6-difluoro-2-methylcyclohex-3-en-1-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(5,6-difluoro-2-methylcyclohex-3-en-1-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(5,6-difluoro-2-methylcyclohex-3-en-1-yl)cyclobutan-1-amine is CC1C=CC(F)C(F)C1C1(N)CCC1.
What is the InChIKey of 1-(5,6-difluoro-2-methylcyclohex-3-en-1-yl)cyclobutan-1-amine?
The InChIKey is GPXMSAFKJLIMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N/c1-7-3-4-8(12)10(13)9(7)11(14)5-2-6-11/h3-4,7-10H,2,5-6,14H2,1H3.
What are the key properties of 1-(5,6-difluoro-2-methylcyclohex-3-en-1-yl)cyclobutan-1-amine?
1-(5,6-difluoro-2-methylcyclohex-3-en-1-yl)cyclobutan-1-amine has a molecular weight of 201.26 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-difluoro-2-methylcyclohex-3-en-1-yl)cyclobutan-1-amine is sourced from PubChem (CID 129056499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).