1-fluoro-2-methylcyclobutane

C5H9F — CID 54503595

IUPAC1-fluoro-2-methylcyclobutane
SMILESCC1CCC1F
InChIInChI=1S/C5H9F/c1-4-2-3-5(4)6/h4-5H,2-3H2,1H3
InChIKeyZDVTWWKORPXWMB-UHFFFAOYSA-N
MW88.13 g/mol
LogP1.75
Rot. Bonds

About 1-fluoro-2-methylcyclobutane

1-fluoro-2-methylcyclobutane (PubChem CID 54503595) has the molecular formula C5H9F and a molecular weight of 88.13 g/mol. Its IUPAC name is 1-fluoro-2-methylcyclobutane.

Molecular Properties

Compound Name1-fluoro-2-methylcyclobutane
PubChem CID54503595
Molecular FormulaC5H9F
Molecular Weight88.13 g/mol
Exact Mass88.07
IUPAC Name1-fluoro-2-methylcyclobutane
SMILESCC1CCC1F
InChIInChI=1S/C5H9F/c1-4-2-3-5(4)6/h4-5H,2-3H2,1H3
InChIKeyZDVTWWKORPXWMB-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 ≤ 50088.13
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-2-methylcyclobutane?
The IUPAC name of 1-fluoro-2-methylcyclobutane (CID 54503595) is 1-fluoro-2-methylcyclobutane.
What is the SMILES notation for 1-fluoro-2-methylcyclobutane?
The canonical SMILES for 1-fluoro-2-methylcyclobutane is CC1CCC1F.
What is the InChIKey of 1-fluoro-2-methylcyclobutane?
The InChIKey is ZDVTWWKORPXWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F/c1-4-2-3-5(4)6/h4-5H,2-3H2,1H3.
What are the key properties of 1-fluoro-2-methylcyclobutane?
1-fluoro-2-methylcyclobutane has a molecular weight of 88.13 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-2-methylcyclobutane is sourced from PubChem (CID 54503595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).