4-fluoro-2,3-dimethylcyclobuta-1,3-dien-1-amine

C6H8FN — CID 146232188

IUPAC4-fluoro-2,3-dimethylcyclobuta-1,3-dien-1-amine
SMILESCC1=C(N)C(F)=C1C
InChIInChI=1S/C6H8FN/c1-3-4(2)6(8)5(3)7/h8H2,1-2H3
InChIKeyMYQXVDXLTROQEN-UHFFFAOYSA-N
MW113.13 g/mol
LogP1.48
Rot. Bonds

About 4-fluoro-2,3-dimethylcyclobuta-1,3-dien-1-amine

4-fluoro-2,3-dimethylcyclobuta-1,3-dien-1-amine (PubChem CID 146232188) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is 4-fluoro-2,3-dimethylcyclobuta-1,3-dien-1-amine.

Molecular Properties

Compound Name4-fluoro-2,3-dimethylcyclobuta-1,3-dien-1-amine
PubChem CID146232188
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name4-fluoro-2,3-dimethylcyclobuta-1,3-dien-1-amine
SMILESCC1=C(N)C(F)=C1C
InChIInChI=1S/C6H8FN/c1-3-4(2)6(8)5(3)7/h8H2,1-2H3
InChIKeyMYQXVDXLTROQEN-UHFFFAOYSA-N
XLogP1.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.13
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,3-dimethylcyclobuta-1,3-dien-1-amine?
The IUPAC name of 4-fluoro-2,3-dimethylcyclobuta-1,3-dien-1-amine (CID 146232188) is 4-fluoro-2,3-dimethylcyclobuta-1,3-dien-1-amine.
What is the SMILES notation for 4-fluoro-2,3-dimethylcyclobuta-1,3-dien-1-amine?
The canonical SMILES for 4-fluoro-2,3-dimethylcyclobuta-1,3-dien-1-amine is CC1=C(N)C(F)=C1C.
What is the InChIKey of 4-fluoro-2,3-dimethylcyclobuta-1,3-dien-1-amine?
The InChIKey is MYQXVDXLTROQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN/c1-3-4(2)6(8)5(3)7/h8H2,1-2H3.
What are the key properties of 4-fluoro-2,3-dimethylcyclobuta-1,3-dien-1-amine?
4-fluoro-2,3-dimethylcyclobuta-1,3-dien-1-amine has a molecular weight of 113.13 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,3-dimethylcyclobuta-1,3-dien-1-amine is sourced from PubChem (CID 146232188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).