(3S)-2,2,3-trifluoro-4,4-bis(trifluoromethyl)oxetane

C5HF9O — CID 101028509

IUPAC(3S)-2,2,3-trifluoro-4,4-bis(trifluoromethyl)oxetane
SMILESF[C@@H]1C(F)(F)OC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5HF9O/c6-1-2(4(9,10)11,5(12,13)14)15-3(1,7)8/h1H/t1-/m0/s1
InChIKeyGMKAOIOEHHAQRY-SFOWXEAESA-N
MW248.04 g/mol
LogP2.81
Rot. Bonds

About (3S)-2,2,3-trifluoro-4,4-bis(trifluoromethyl)oxetane

(3S)-2,2,3-trifluoro-4,4-bis(trifluoromethyl)oxetane (PubChem CID 101028509) has the molecular formula C5HF9O and a molecular weight of 248.04 g/mol. Its IUPAC name is (3S)-2,2,3-trifluoro-4,4-bis(trifluoromethyl)oxetane.

Molecular Properties

Compound Name(3S)-2,2,3-trifluoro-4,4-bis(trifluoromethyl)oxetane
PubChem CID101028509
Molecular FormulaC5HF9O
Molecular Weight248.04 g/mol
Exact Mass247.99
IUPAC Name(3S)-2,2,3-trifluoro-4,4-bis(trifluoromethyl)oxetane
SMILESF[C@@H]1C(F)(F)OC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5HF9O/c6-1-2(4(9,10)11,5(12,13)14)15-3(1,7)8/h1H/t1-/m0/s1
InChIKeyGMKAOIOEHHAQRY-SFOWXEAESA-N
XLogP2.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.04
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-2,2,3-trifluoro-4,4-bis(trifluoromethyl)oxetane?
The IUPAC name of (3S)-2,2,3-trifluoro-4,4-bis(trifluoromethyl)oxetane (CID 101028509) is (3S)-2,2,3-trifluoro-4,4-bis(trifluoromethyl)oxetane.
What is the SMILES notation for (3S)-2,2,3-trifluoro-4,4-bis(trifluoromethyl)oxetane?
The canonical SMILES for (3S)-2,2,3-trifluoro-4,4-bis(trifluoromethyl)oxetane is F[C@@H]1C(F)(F)OC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (3S)-2,2,3-trifluoro-4,4-bis(trifluoromethyl)oxetane?
The InChIKey is GMKAOIOEHHAQRY-SFOWXEAESA-N. The full InChI is InChI=1S/C5HF9O/c6-1-2(4(9,10)11,5(12,13)14)15-3(1,7)8/h1H/t1-/m0/s1.
What are the key properties of (3S)-2,2,3-trifluoro-4,4-bis(trifluoromethyl)oxetane?
(3S)-2,2,3-trifluoro-4,4-bis(trifluoromethyl)oxetane has a molecular weight of 248.04 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,2,3-trifluoro-4,4-bis(trifluoromethyl)oxetane is sourced from PubChem (CID 101028509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).