cis-(1R,2S)-1-fluoro-2-methylcyclobutane

C5H9F — CID 174290847

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

About cis-(1R,2S)-1-fluoro-2-methylcyclobutane

cis-(1R,2S)-1-fluoro-2-methylcyclobutane (PubChem CID 174290847) has the molecular formula C5H9F and a molecular weight of 88.13 g/mol. Its IUPAC name is cis-(1R,2S)-1-fluoro-2-methylcyclobutane.

Molecular Properties

Compound Namecis-(1R,2S)-1-fluoro-2-methylcyclobutane
PubChem CID174290847
Molecular FormulaC5H9F
Molecular Weight88.13 g/mol
Exact Mass88.07
IUPAC Namecis-(1R,2S)-1-fluoro-2-methylcyclobutane
SMILESC[C@H]1CC[C@H]1F
InChIInChI=1S/C5H9F/c1-4-2-3-5(4)6/h4-5H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyZDVTWWKORPXWMB-CRCLSJGQSA-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 cis-(1R,2S)-1-fluoro-2-methylcyclobutane?
The IUPAC name of cis-(1R,2S)-1-fluoro-2-methylcyclobutane (CID 174290847) is cis-(1R,2S)-1-fluoro-2-methylcyclobutane.
What is the SMILES notation for cis-(1R,2S)-1-fluoro-2-methylcyclobutane?
The canonical SMILES for cis-(1R,2S)-1-fluoro-2-methylcyclobutane is C[C@H]1CC[C@H]1F.
What is the InChIKey of cis-(1R,2S)-1-fluoro-2-methylcyclobutane?
The InChIKey is ZDVTWWKORPXWMB-CRCLSJGQSA-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 cis-(1R,2S)-1-fluoro-2-methylcyclobutane?
cis-(1R,2S)-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 cis-(1R,2S)-1-fluoro-2-methylcyclobutane is sourced from PubChem (CID 174290847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).