6,6-difluoro-N,5-dimethyl-2-methylidenehex-5-en-1-amine

C9H15F2N — CID 58962877

IUPAC6,6-difluoro-N,5-dimethyl-2-methylidenehex-5-en-1-amine
SMILESC=C(CCC(C)=C(F)F)CNC
InChIInChI=1S/C9H15F2N/c1-7(6-12-3)4-5-8(2)9(10)11/h12H,1,4-6H2,2-3H3
InChIKeyHOTZUEFRBDXPMI-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.71
Rot. Bonds5

About 6,6-difluoro-N,5-dimethyl-2-methylidenehex-5-en-1-amine

6,6-difluoro-N,5-dimethyl-2-methylidenehex-5-en-1-amine (PubChem CID 58962877) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 6,6-difluoro-N,5-dimethyl-2-methylidenehex-5-en-1-amine.

Molecular Properties

Compound Name6,6-difluoro-N,5-dimethyl-2-methylidenehex-5-en-1-amine
PubChem CID58962877
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name6,6-difluoro-N,5-dimethyl-2-methylidenehex-5-en-1-amine
SMILESC=C(CCC(C)=C(F)F)CNC
InChIInChI=1S/C9H15F2N/c1-7(6-12-3)4-5-8(2)9(10)11/h12H,1,4-6H2,2-3H3
InChIKeyHOTZUEFRBDXPMI-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.71
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 6,6-difluoro-N,5-dimethyl-2-methylidenehex-5-en-1-amine?
The IUPAC name of 6,6-difluoro-N,5-dimethyl-2-methylidenehex-5-en-1-amine (CID 58962877) is 6,6-difluoro-N,5-dimethyl-2-methylidenehex-5-en-1-amine.
What is the SMILES notation for 6,6-difluoro-N,5-dimethyl-2-methylidenehex-5-en-1-amine?
The canonical SMILES for 6,6-difluoro-N,5-dimethyl-2-methylidenehex-5-en-1-amine is C=C(CCC(C)=C(F)F)CNC.
What is the InChIKey of 6,6-difluoro-N,5-dimethyl-2-methylidenehex-5-en-1-amine?
The InChIKey is HOTZUEFRBDXPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-7(6-12-3)4-5-8(2)9(10)11/h12H,1,4-6H2,2-3H3.
What are the key properties of 6,6-difluoro-N,5-dimethyl-2-methylidenehex-5-en-1-amine?
6,6-difluoro-N,5-dimethyl-2-methylidenehex-5-en-1-amine has a molecular weight of 175.22 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-N,5-dimethyl-2-methylidenehex-5-en-1-amine is sourced from PubChem (CID 58962877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).