1-fluoro-3-methylcyclobutane

C5H9F — CID 58136843

IUPAC1-fluoro-3-methylcyclobutane
SMILESCC1CC(F)C1
InChIInChI=1S/C5H9F/c1-4-2-5(6)3-4/h4-5H,2-3H2,1H3
InChIKeyMVPSCFJABIGCOE-UHFFFAOYSA-N
MW88.12 g/mol
LogP1.75
Rot. Bonds

About 1-fluoro-3-methylcyclobutane

1-fluoro-3-methylcyclobutane (PubChem CID 58136843) has the molecular formula C5H9F and a molecular weight of 88.12 g/mol. Its IUPAC name is 1-fluoro-3-methylcyclobutane.

Molecular Properties

Compound Name1-fluoro-3-methylcyclobutane
PubChem CID58136843
Molecular FormulaC5H9F
Molecular Weight88.12 g/mol
Exact Mass88.07
IUPAC Name1-fluoro-3-methylcyclobutane
SMILESCC1CC(F)C1
InChIInChI=1S/C5H9F/c1-4-2-5(6)3-4/h4-5H,2-3H2,1H3
InChIKeyMVPSCFJABIGCOE-UHFFFAOYSA-N
XLogP1.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.12
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methylcyclobutane?
The IUPAC name of 1-fluoro-3-methylcyclobutane (CID 58136843) is 1-fluoro-3-methylcyclobutane.
What is the SMILES notation for 1-fluoro-3-methylcyclobutane?
The canonical SMILES for 1-fluoro-3-methylcyclobutane is CC1CC(F)C1.
What is the InChIKey of 1-fluoro-3-methylcyclobutane?
The InChIKey is MVPSCFJABIGCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F/c1-4-2-5(6)3-4/h4-5H,2-3H2,1H3.
What are the key properties of 1-fluoro-3-methylcyclobutane?
1-fluoro-3-methylcyclobutane has a molecular weight of 88.12 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methylcyclobutane is sourced from PubChem (CID 58136843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).