2-fluoro-2,3-dimethylbut-3-en-1-amine

C6H12FN — CID 112565253

IUPAC2-fluoro-2,3-dimethylbut-3-en-1-amine
SMILESC=C(C)C(C)(F)CN
InChIInChI=1S/C6H12FN/c1-5(2)6(3,7)4-8/h1,4,8H2,2-3H3
InChIKeyNYCWQANTNSNXBY-UHFFFAOYSA-N
MW117.17 g/mol
LogP1.25
Rot. Bonds2

About 2-fluoro-2,3-dimethylbut-3-en-1-amine

2-fluoro-2,3-dimethylbut-3-en-1-amine (PubChem CID 112565253) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is 2-fluoro-2,3-dimethylbut-3-en-1-amine.

Molecular Properties

Compound Name2-fluoro-2,3-dimethylbut-3-en-1-amine
PubChem CID112565253
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name2-fluoro-2,3-dimethylbut-3-en-1-amine
SMILESC=C(C)C(C)(F)CN
InChIInChI=1S/C6H12FN/c1-5(2)6(3,7)4-8/h1,4,8H2,2-3H3
InChIKeyNYCWQANTNSNXBY-UHFFFAOYSA-N
XLogP1.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 51.25
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 2-fluoro-2,3-dimethylbut-3-en-1-amine?
The IUPAC name of 2-fluoro-2,3-dimethylbut-3-en-1-amine (CID 112565253) is 2-fluoro-2,3-dimethylbut-3-en-1-amine.
What is the SMILES notation for 2-fluoro-2,3-dimethylbut-3-en-1-amine?
The canonical SMILES for 2-fluoro-2,3-dimethylbut-3-en-1-amine is C=C(C)C(C)(F)CN.
What is the InChIKey of 2-fluoro-2,3-dimethylbut-3-en-1-amine?
The InChIKey is NYCWQANTNSNXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN/c1-5(2)6(3,7)4-8/h1,4,8H2,2-3H3.
What are the key properties of 2-fluoro-2,3-dimethylbut-3-en-1-amine?
2-fluoro-2,3-dimethylbut-3-en-1-amine has a molecular weight of 117.17 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2,3-dimethylbut-3-en-1-amine is sourced from PubChem (CID 112565253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).