(3R)-2,2,3-trifluoro-3-(1,2,2-trifluoroethenyl)-4,4-bis(trifluoromethyl)oxetane

C7F12O — CID 98047853

IUPAC(3R)-2,2,3-trifluoro-3-(1,2,2-trifluoroethenyl)-4,4-bis(trifluoromethyl)oxetane
SMILESFC(F)=C(F)[C@@]1(F)C(F)(F)OC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7F12O/c8-1(2(9)10)3(11)4(5(12,13)14,6(15,16)17)20-7(3,18)19/t3-/m0/s1
InChIKeyAVRFEAFEAWXBPL-VKHMYHEASA-N
MW328.05 g/mol
LogP4.26
Rot. Bonds1

About (3R)-2,2,3-trifluoro-3-(1,2,2-trifluoroethenyl)-4,4-bis(trifluoromethyl)oxetane

(3R)-2,2,3-trifluoro-3-(1,2,2-trifluoroethenyl)-4,4-bis(trifluoromethyl)oxetane (PubChem CID 98047853) has the molecular formula C7F12O and a molecular weight of 328.05 g/mol. Its IUPAC name is (3R)-2,2,3-trifluoro-3-(1,2,2-trifluoroethenyl)-4,4-bis(trifluoromethyl)oxetane.

Molecular Properties

Compound Name(3R)-2,2,3-trifluoro-3-(1,2,2-trifluoroethenyl)-4,4-bis(trifluoromethyl)oxetane
PubChem CID98047853
Molecular FormulaC7F12O
Molecular Weight328.05 g/mol
Exact Mass327.98
IUPAC Name(3R)-2,2,3-trifluoro-3-(1,2,2-trifluoroethenyl)-4,4-bis(trifluoromethyl)oxetane
SMILESFC(F)=C(F)[C@@]1(F)C(F)(F)OC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7F12O/c8-1(2(9)10)3(11)4(5(12,13)14,6(15,16)17)20-7(3,18)19/t3-/m0/s1
InChIKeyAVRFEAFEAWXBPL-VKHMYHEASA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.05
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-2,2,3-trifluoro-3-(1,2,2-trifluoroethenyl)-4,4-bis(trifluoromethyl)oxetane?
The IUPAC name of (3R)-2,2,3-trifluoro-3-(1,2,2-trifluoroethenyl)-4,4-bis(trifluoromethyl)oxetane (CID 98047853) is (3R)-2,2,3-trifluoro-3-(1,2,2-trifluoroethenyl)-4,4-bis(trifluoromethyl)oxetane.
What is the SMILES notation for (3R)-2,2,3-trifluoro-3-(1,2,2-trifluoroethenyl)-4,4-bis(trifluoromethyl)oxetane?
The canonical SMILES for (3R)-2,2,3-trifluoro-3-(1,2,2-trifluoroethenyl)-4,4-bis(trifluoromethyl)oxetane is FC(F)=C(F)[C@@]1(F)C(F)(F)OC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (3R)-2,2,3-trifluoro-3-(1,2,2-trifluoroethenyl)-4,4-bis(trifluoromethyl)oxetane?
The InChIKey is AVRFEAFEAWXBPL-VKHMYHEASA-N. The full InChI is InChI=1S/C7F12O/c8-1(2(9)10)3(11)4(5(12,13)14,6(15,16)17)20-7(3,18)19/t3-/m0/s1.
What are the key properties of (3R)-2,2,3-trifluoro-3-(1,2,2-trifluoroethenyl)-4,4-bis(trifluoromethyl)oxetane?
(3R)-2,2,3-trifluoro-3-(1,2,2-trifluoroethenyl)-4,4-bis(trifluoromethyl)oxetane has a molecular weight of 328.05 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2,3-trifluoro-3-(1,2,2-trifluoroethenyl)-4,4-bis(trifluoromethyl)oxetane is sourced from PubChem (CID 98047853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).