[1-(difluoromethyl)-3-methylidenecyclobutyl]methanamine

C7H11F2N — CID 155973650

IUPAC[1-(difluoromethyl)-3-methylidenecyclobutyl]methanamine
SMILESC=C1CC(CN)(C(F)F)C1
InChIInChI=1S/C7H11F2N/c1-5-2-7(3-5,4-10)6(8)9/h6H,1-4,10H2
InChIKeyZTFNBSYVKHOEFH-UHFFFAOYSA-N
MW147.17 g/mol
LogP1.55
Rot. Bonds2

About [1-(difluoromethyl)-3-methylidenecyclobutyl]methanamine

[1-(difluoromethyl)-3-methylidenecyclobutyl]methanamine (PubChem CID 155973650) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is [1-(difluoromethyl)-3-methylidenecyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(difluoromethyl)-3-methylidenecyclobutyl]methanamine
PubChem CID155973650
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name[1-(difluoromethyl)-3-methylidenecyclobutyl]methanamine
SMILESC=C1CC(CN)(C(F)F)C1
InChIInChI=1S/C7H11F2N/c1-5-2-7(3-5,4-10)6(8)9/h6H,1-4,10H2
InChIKeyZTFNBSYVKHOEFH-UHFFFAOYSA-N
XLogP1.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 51.55
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-(difluoromethyl)-3-methylidenecyclobutyl]methanamine?
The IUPAC name of [1-(difluoromethyl)-3-methylidenecyclobutyl]methanamine (CID 155973650) is [1-(difluoromethyl)-3-methylidenecyclobutyl]methanamine.
What is the SMILES notation for [1-(difluoromethyl)-3-methylidenecyclobutyl]methanamine?
The canonical SMILES for [1-(difluoromethyl)-3-methylidenecyclobutyl]methanamine is C=C1CC(CN)(C(F)F)C1.
What is the InChIKey of [1-(difluoromethyl)-3-methylidenecyclobutyl]methanamine?
The InChIKey is ZTFNBSYVKHOEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N/c1-5-2-7(3-5,4-10)6(8)9/h6H,1-4,10H2.
What are the key properties of [1-(difluoromethyl)-3-methylidenecyclobutyl]methanamine?
[1-(difluoromethyl)-3-methylidenecyclobutyl]methanamine has a molecular weight of 147.17 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)-3-methylidenecyclobutyl]methanamine is sourced from PubChem (CID 155973650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).