1-fluoro-1,2,2-trimethylcyclobutane

C7H13F — CID 11159316

IUPAC1-fluoro-1,2,2-trimethylcyclobutane
SMILESCC1(C)CCC1(C)F
InChIInChI=1S/C7H13F/c1-6(2)4-5-7(6,3)8/h4-5H2,1-3H3
InChIKeyOYPAEJBCLOLYBR-UHFFFAOYSA-N
MW116.18 g/mol
LogP2.53
Rot. Bonds

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

1-fluoro-1,2,2-trimethylcyclobutane (PubChem CID 11159316) has the molecular formula C7H13F and a molecular weight of 116.18 g/mol. Its IUPAC name is 1-fluoro-1,2,2-trimethylcyclobutane.

Molecular Properties

Compound Name1-fluoro-1,2,2-trimethylcyclobutane
PubChem CID11159316
Molecular FormulaC7H13F
Molecular Weight116.18 g/mol
Exact Mass116.10
IUPAC Name1-fluoro-1,2,2-trimethylcyclobutane
SMILESCC1(C)CCC1(C)F
InChIInChI=1S/C7H13F/c1-6(2)4-5-7(6,3)8/h4-5H2,1-3H3
InChIKeyOYPAEJBCLOLYBR-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1,2,2-trimethylcyclobutane?
The IUPAC name of 1-fluoro-1,2,2-trimethylcyclobutane (CID 11159316) is 1-fluoro-1,2,2-trimethylcyclobutane.
What is the SMILES notation for 1-fluoro-1,2,2-trimethylcyclobutane?
The canonical SMILES for 1-fluoro-1,2,2-trimethylcyclobutane is CC1(C)CCC1(C)F.
What is the InChIKey of 1-fluoro-1,2,2-trimethylcyclobutane?
The InChIKey is OYPAEJBCLOLYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F/c1-6(2)4-5-7(6,3)8/h4-5H2,1-3H3.
What are the key properties of 1-fluoro-1,2,2-trimethylcyclobutane?
1-fluoro-1,2,2-trimethylcyclobutane has a molecular weight of 116.18 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1,2,2-trimethylcyclobutane is sourced from PubChem (CID 11159316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).