1,1-difluoro-N,3-dimethylbut-3-en-2-amine

C6H11F2N — CID 103516836

IUPAC1,1-difluoro-N,3-dimethylbut-3-en-2-amine
SMILESC=C(C)C(NC)C(F)F
InChIInChI=1S/C6H11F2N/c1-4(2)5(9-3)6(7)8/h5-6,9H,1H2,2-3H3
InChIKeyKFZZCARYEAUNEC-UHFFFAOYSA-N
MW135.16 g/mol
LogP1.42
Rot. Bonds3

About 1,1-difluoro-N,3-dimethylbut-3-en-2-amine

1,1-difluoro-N,3-dimethylbut-3-en-2-amine (PubChem CID 103516836) has the molecular formula C6H11F2N and a molecular weight of 135.16 g/mol. Its IUPAC name is 1,1-difluoro-N,3-dimethylbut-3-en-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N,3-dimethylbut-3-en-2-amine
PubChem CID103516836
Molecular FormulaC6H11F2N
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name1,1-difluoro-N,3-dimethylbut-3-en-2-amine
SMILESC=C(C)C(NC)C(F)F
InChIInChI=1S/C6H11F2N/c1-4(2)5(9-3)6(7)8/h5-6,9H,1H2,2-3H3
InChIKeyKFZZCARYEAUNEC-UHFFFAOYSA-N
XLogP1.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 51.42
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 1,1-difluoro-N,3-dimethylbut-3-en-2-amine?
The IUPAC name of 1,1-difluoro-N,3-dimethylbut-3-en-2-amine (CID 103516836) is 1,1-difluoro-N,3-dimethylbut-3-en-2-amine.
What is the SMILES notation for 1,1-difluoro-N,3-dimethylbut-3-en-2-amine?
The canonical SMILES for 1,1-difluoro-N,3-dimethylbut-3-en-2-amine is C=C(C)C(NC)C(F)F.
What is the InChIKey of 1,1-difluoro-N,3-dimethylbut-3-en-2-amine?
The InChIKey is KFZZCARYEAUNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N/c1-4(2)5(9-3)6(7)8/h5-6,9H,1H2,2-3H3.
What are the key properties of 1,1-difluoro-N,3-dimethylbut-3-en-2-amine?
1,1-difluoro-N,3-dimethylbut-3-en-2-amine has a molecular weight of 135.16 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N,3-dimethylbut-3-en-2-amine is sourced from PubChem (CID 103516836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).