(1S)-1-fluoro-2-methylcyclobutane

C5H9F — CID 149484221

IUPAC(1S)-1-fluoro-2-methylcyclobutane
SMILESCC1CC[C@@H]1F
InChIInChI=1S/C5H9F/c1-4-2-3-5(4)6/h4-5H,2-3H2,1H3/t4?,5-/m0/s1
InChIKeyZDVTWWKORPXWMB-AKGZTFGVSA-N
MW88.13 g/mol
LogP1.75
Rot. Bonds

About (1S)-1-fluoro-2-methylcyclobutane

(1S)-1-fluoro-2-methylcyclobutane (PubChem CID 149484221) has the molecular formula C5H9F and a molecular weight of 88.13 g/mol. Its IUPAC name is (1S)-1-fluoro-2-methylcyclobutane.

Molecular Properties

Compound Name(1S)-1-fluoro-2-methylcyclobutane
PubChem CID149484221
Molecular FormulaC5H9F
Molecular Weight88.13 g/mol
Exact Mass88.07
IUPAC Name(1S)-1-fluoro-2-methylcyclobutane
SMILESCC1CC[C@@H]1F
InChIInChI=1S/C5H9F/c1-4-2-3-5(4)6/h4-5H,2-3H2,1H3/t4?,5-/m0/s1
InChIKeyZDVTWWKORPXWMB-AKGZTFGVSA-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 (1S)-1-fluoro-2-methylcyclobutane?
The IUPAC name of (1S)-1-fluoro-2-methylcyclobutane (CID 149484221) is (1S)-1-fluoro-2-methylcyclobutane.
What is the SMILES notation for (1S)-1-fluoro-2-methylcyclobutane?
The canonical SMILES for (1S)-1-fluoro-2-methylcyclobutane is CC1CC[C@@H]1F.
What is the InChIKey of (1S)-1-fluoro-2-methylcyclobutane?
The InChIKey is ZDVTWWKORPXWMB-AKGZTFGVSA-N. The full InChI is InChI=1S/C5H9F/c1-4-2-3-5(4)6/h4-5H,2-3H2,1H3/t4?,5-/m0/s1.
What are the key properties of (1S)-1-fluoro-2-methylcyclobutane?
(1S)-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 (1S)-1-fluoro-2-methylcyclobutane is sourced from PubChem (CID 149484221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).