[1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)pentan-3-yl] hypofluorite

C10F22O — CID 87319034

IUPAC[1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)pentan-3-yl] hypofluorite
SMILESFOC(C(F)(C(F)(F)F)C(F)(F)F)(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10F22O/c11-1(5(14,15)16,6(17,18)19)4(33-32,2(12,7(20,21)22)8(23,24)25)3(13,9(26,27)28)10(29,30)31
InChIKeyRKFMQMQALIDOLV-UHFFFAOYSA-N
MW554.06 g/mol
LogP7.12
Rot. Bonds4

About [1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)pentan-3-yl] hypofluorite

[1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)pentan-3-yl] hypofluorite (PubChem CID 87319034) has the molecular formula C10F22O and a molecular weight of 554.06 g/mol. Its IUPAC name is [1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)pentan-3-yl] hypofluorite.

Molecular Properties

Compound Name[1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)pentan-3-yl] hypofluorite
PubChem CID87319034
Molecular FormulaC10F22O
Molecular Weight554.06 g/mol
Exact Mass553.96
IUPAC Name[1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)pentan-3-yl] hypofluorite
SMILESFOC(C(F)(C(F)(F)F)C(F)(F)F)(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10F22O/c11-1(5(14,15)16,6(17,18)19)4(33-32,2(12,7(20,21)22)8(23,24)25)3(13,9(26,27)28)10(29,30)31
InChIKeyRKFMQMQALIDOLV-UHFFFAOYSA-N
XLogP7.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.06
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)pentan-3-yl] hypofluorite with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)pentan-3-yl] hypofluorite?
The IUPAC name of [1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)pentan-3-yl] hypofluorite (CID 87319034) is [1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)pentan-3-yl] hypofluorite.
What is the SMILES notation for [1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)pentan-3-yl] hypofluorite?
The canonical SMILES for [1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)pentan-3-yl] hypofluorite is FOC(C(F)(C(F)(F)F)C(F)(F)F)(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)pentan-3-yl] hypofluorite?
The InChIKey is RKFMQMQALIDOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F22O/c11-1(5(14,15)16,6(17,18)19)4(33-32,2(12,7(20,21)22)8(23,24)25)3(13,9(26,27)28)10(29,30)31.
What are the key properties of [1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)pentan-3-yl] hypofluorite?
[1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)pentan-3-yl] hypofluorite has a molecular weight of 554.06 g/mol, XLogP of 7.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)pentan-3-yl] hypofluorite is sourced from PubChem (CID 87319034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).