2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3,3-bis(trifluoromethyl)oxolane

C9H4F14O — CID 146536163

IUPAC2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3,3-bis(trifluoromethyl)oxolane
SMILESFC(F)(F)C(F)(C(F)(F)F)C1(F)OCCC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H4F14O/c10-4(8(18,19)20,9(21,22)23)5(11)3(1-2-24-5,6(12,13)14)7(15,16)17/h1-2H2
InChIKeyBWAAUXXQLATGKR-UHFFFAOYSA-N
MW394.10 g/mol
LogP5.02
Rot. Bonds1

About 2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3,3-bis(trifluoromethyl)oxolane

2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3,3-bis(trifluoromethyl)oxolane (PubChem CID 146536163) has the molecular formula C9H4F14O and a molecular weight of 394.10 g/mol. Its IUPAC name is 2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3,3-bis(trifluoromethyl)oxolane.

Molecular Properties

Compound Name2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3,3-bis(trifluoromethyl)oxolane
PubChem CID146536163
Molecular FormulaC9H4F14O
Molecular Weight394.10 g/mol
Exact Mass394.00
IUPAC Name2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3,3-bis(trifluoromethyl)oxolane
SMILESFC(F)(F)C(F)(C(F)(F)F)C1(F)OCCC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H4F14O/c10-4(8(18,19)20,9(21,22)23)5(11)3(1-2-24-5,6(12,13)14)7(15,16)17/h1-2H2
InChIKeyBWAAUXXQLATGKR-UHFFFAOYSA-N
XLogP5.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.10
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3,3-bis(trifluoromethyl)oxolane?
The IUPAC name of 2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3,3-bis(trifluoromethyl)oxolane (CID 146536163) is 2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3,3-bis(trifluoromethyl)oxolane.
What is the SMILES notation for 2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3,3-bis(trifluoromethyl)oxolane?
The canonical SMILES for 2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3,3-bis(trifluoromethyl)oxolane is FC(F)(F)C(F)(C(F)(F)F)C1(F)OCCC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3,3-bis(trifluoromethyl)oxolane?
The InChIKey is BWAAUXXQLATGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F14O/c10-4(8(18,19)20,9(21,22)23)5(11)3(1-2-24-5,6(12,13)14)7(15,16)17/h1-2H2.
What are the key properties of 2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3,3-bis(trifluoromethyl)oxolane?
2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3,3-bis(trifluoromethyl)oxolane has a molecular weight of 394.10 g/mol, XLogP of 5.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3,3-bis(trifluoromethyl)oxolane is sourced from PubChem (CID 146536163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).