(3S)-3-ethoxy-1,1,2,2-tetrafluorocyclobutane

C6H8F4O — CID 174329394

IUPAC(3S)-3-ethoxy-1,1,2,2-tetrafluorocyclobutane
SMILESCCO[C@H]1CC(F)(F)C1(F)F
InChIInChI=1S/C6H8F4O/c1-2-11-4-3-5(7,8)6(4,9)10/h4H,2-3H2,1H3/t4-/m0/s1
InChIKeyVNSRBAXURMYQHS-BYPYZUCNSA-N
MW172.12 g/mol
LogP2.07
Rot. Bonds2

About (3S)-3-ethoxy-1,1,2,2-tetrafluorocyclobutane

(3S)-3-ethoxy-1,1,2,2-tetrafluorocyclobutane (PubChem CID 174329394) has the molecular formula C6H8F4O and a molecular weight of 172.12 g/mol. Its IUPAC name is (3S)-3-ethoxy-1,1,2,2-tetrafluorocyclobutane.

Molecular Properties

Compound Name(3S)-3-ethoxy-1,1,2,2-tetrafluorocyclobutane
PubChem CID174329394
Molecular FormulaC6H8F4O
Molecular Weight172.12 g/mol
Exact Mass172.05
IUPAC Name(3S)-3-ethoxy-1,1,2,2-tetrafluorocyclobutane
SMILESCCO[C@H]1CC(F)(F)C1(F)F
InChIInChI=1S/C6H8F4O/c1-2-11-4-3-5(7,8)6(4,9)10/h4H,2-3H2,1H3/t4-/m0/s1
InChIKeyVNSRBAXURMYQHS-BYPYZUCNSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.12
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethoxy-1,1,2,2-tetrafluorocyclobutane?
The IUPAC name of (3S)-3-ethoxy-1,1,2,2-tetrafluorocyclobutane (CID 174329394) is (3S)-3-ethoxy-1,1,2,2-tetrafluorocyclobutane.
What is the SMILES notation for (3S)-3-ethoxy-1,1,2,2-tetrafluorocyclobutane?
The canonical SMILES for (3S)-3-ethoxy-1,1,2,2-tetrafluorocyclobutane is CCO[C@H]1CC(F)(F)C1(F)F.
What is the InChIKey of (3S)-3-ethoxy-1,1,2,2-tetrafluorocyclobutane?
The InChIKey is VNSRBAXURMYQHS-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H8F4O/c1-2-11-4-3-5(7,8)6(4,9)10/h4H,2-3H2,1H3/t4-/m0/s1.
What are the key properties of (3S)-3-ethoxy-1,1,2,2-tetrafluorocyclobutane?
(3S)-3-ethoxy-1,1,2,2-tetrafluorocyclobutane has a molecular weight of 172.12 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethoxy-1,1,2,2-tetrafluorocyclobutane is sourced from PubChem (CID 174329394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).