cis-(1S,2S)-1-ethyl-2-fluorocyclobutane

C6H11F — CID 146559123

IUPACcis-(1S,2S)-1-ethyl-2-fluorocyclobutane
SMILESCC[C@H]1CC[C@@H]1F
InChIInChI=1S/C6H11F/c1-2-5-3-4-6(5)7/h5-6H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyQBIFTGCRGGWBGX-WDSKDSINSA-N
MW102.15 g/mol
LogP2.14
Rot. Bonds1

About cis-(1S,2S)-1-ethyl-2-fluorocyclobutane

cis-(1S,2S)-1-ethyl-2-fluorocyclobutane (PubChem CID 146559123) has the molecular formula C6H11F and a molecular weight of 102.15 g/mol. Its IUPAC name is cis-(1S,2S)-1-ethyl-2-fluorocyclobutane.

Molecular Properties

Compound Namecis-(1S,2S)-1-ethyl-2-fluorocyclobutane
PubChem CID146559123
Molecular FormulaC6H11F
Molecular Weight102.15 g/mol
Exact Mass102.08
IUPAC Namecis-(1S,2S)-1-ethyl-2-fluorocyclobutane
SMILESCC[C@H]1CC[C@@H]1F
InChIInChI=1S/C6H11F/c1-2-5-3-4-6(5)7/h5-6H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyQBIFTGCRGGWBGX-WDSKDSINSA-N
XLogP2.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.15
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-ethyl-2-fluorocyclobutane?
The IUPAC name of cis-(1S,2S)-1-ethyl-2-fluorocyclobutane (CID 146559123) is cis-(1S,2S)-1-ethyl-2-fluorocyclobutane.
What is the SMILES notation for cis-(1S,2S)-1-ethyl-2-fluorocyclobutane?
The canonical SMILES for cis-(1S,2S)-1-ethyl-2-fluorocyclobutane is CC[C@H]1CC[C@@H]1F.
What is the InChIKey of cis-(1S,2S)-1-ethyl-2-fluorocyclobutane?
The InChIKey is QBIFTGCRGGWBGX-WDSKDSINSA-N. The full InChI is InChI=1S/C6H11F/c1-2-5-3-4-6(5)7/h5-6H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of cis-(1S,2S)-1-ethyl-2-fluorocyclobutane?
cis-(1S,2S)-1-ethyl-2-fluorocyclobutane has a molecular weight of 102.15 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-ethyl-2-fluorocyclobutane is sourced from PubChem (CID 146559123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).