2-fluoro-1,1,3-trimethylcyclobutane

C7H13F — CID 166853571

IUPAC2-fluoro-1,1,3-trimethylcyclobutane
SMILESCC1CC(C)(C)C1F
InChIInChI=1S/C7H13F/c1-5-4-7(2,3)6(5)8/h5-6H,4H2,1-3H3
InChIKeyHBNDJBYDPXJOKH-UHFFFAOYSA-N
MW116.18 g/mol
LogP2.39
Rot. Bonds

About 2-fluoro-1,1,3-trimethylcyclobutane

2-fluoro-1,1,3-trimethylcyclobutane (PubChem CID 166853571) has the molecular formula C7H13F and a molecular weight of 116.18 g/mol. Its IUPAC name is 2-fluoro-1,1,3-trimethylcyclobutane.

Molecular Properties

Compound Name2-fluoro-1,1,3-trimethylcyclobutane
PubChem CID166853571
Molecular FormulaC7H13F
Molecular Weight116.18 g/mol
Exact Mass116.10
IUPAC Name2-fluoro-1,1,3-trimethylcyclobutane
SMILESCC1CC(C)(C)C1F
InChIInChI=1S/C7H13F/c1-5-4-7(2,3)6(5)8/h5-6H,4H2,1-3H3
InChIKeyHBNDJBYDPXJOKH-UHFFFAOYSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,1,3-trimethylcyclobutane?
The IUPAC name of 2-fluoro-1,1,3-trimethylcyclobutane (CID 166853571) is 2-fluoro-1,1,3-trimethylcyclobutane.
What is the SMILES notation for 2-fluoro-1,1,3-trimethylcyclobutane?
The canonical SMILES for 2-fluoro-1,1,3-trimethylcyclobutane is CC1CC(C)(C)C1F.
What is the InChIKey of 2-fluoro-1,1,3-trimethylcyclobutane?
The InChIKey is HBNDJBYDPXJOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F/c1-5-4-7(2,3)6(5)8/h5-6H,4H2,1-3H3.
What are the key properties of 2-fluoro-1,1,3-trimethylcyclobutane?
2-fluoro-1,1,3-trimethylcyclobutane has a molecular weight of 116.18 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,1,3-trimethylcyclobutane is sourced from PubChem (CID 166853571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).