2,2-bis(1,1,2,2,3,3,3-heptafluoropropyl)oxolane

C10H6F14O — CID 175267791

IUPAC2,2-bis(1,1,2,2,3,3,3-heptafluoropropyl)oxolane
SMILESFC(F)(F)C(F)(F)C(F)(F)C1(C(F)(F)C(F)(F)C(F)(F)F)CCCO1
InChIInChI=1S/C10H6F14O/c11-5(12,7(15,16)9(19,20)21)4(2-1-3-25-4)6(13,14)8(17,18)10(22,23)24/h1-3H2
InChIKeyAINXHWZQEPQPJM-UHFFFAOYSA-N
MW408.13 g/mol
LogP5.20
Rot. Bonds4

About 2,2-bis(1,1,2,2,3,3,3-heptafluoropropyl)oxolane

2,2-bis(1,1,2,2,3,3,3-heptafluoropropyl)oxolane (PubChem CID 175267791) has the molecular formula C10H6F14O and a molecular weight of 408.13 g/mol. Its IUPAC name is 2,2-bis(1,1,2,2,3,3,3-heptafluoropropyl)oxolane.

Molecular Properties

Compound Name2,2-bis(1,1,2,2,3,3,3-heptafluoropropyl)oxolane
PubChem CID175267791
Molecular FormulaC10H6F14O
Molecular Weight408.13 g/mol
Exact Mass408.02
IUPAC Name2,2-bis(1,1,2,2,3,3,3-heptafluoropropyl)oxolane
SMILESFC(F)(F)C(F)(F)C(F)(F)C1(C(F)(F)C(F)(F)C(F)(F)F)CCCO1
InChIInChI=1S/C10H6F14O/c11-5(12,7(15,16)9(19,20)21)4(2-1-3-25-4)6(13,14)8(17,18)10(22,23)24/h1-3H2
InChIKeyAINXHWZQEPQPJM-UHFFFAOYSA-N
XLogP5.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.13
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ncfuemzhjcqqpd-uhfffaoysa-
CID 12672279
2-(1,1,1,2,3,4,4,4-Octafluorobutan-2-yl)oxolane
CID 13271513
2-Fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane
CID 12730902
2-(1,1,1,2,3,3,4,4,4-Nonafluorobutan-2-yl)oxolane
CID 21967075
2,2-Bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane
CID 23328478
3-(1,1,2,2,3,3,4,4,4-Nonafluorobutyl)oxolane
CID 53693161
4,5-Bis(1,1-difluoroethyl)-2,2,3,3,4-pentafluorooxolane
CID 59288803
2,2-Bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)oxolane
CID 85858648
1,1,2,2,3,3,4,4,5,6-Decafluoro-5-[[1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-2-yl]oxymethyl]cyclohexane
CID 88878006
2-(1,1-Difluoroethyl)-2,3,4,5-tetrafluoro-3-(fluoromethyl)oxolane
CID 89125653
2,3-Bis(1,1-difluoroethyl)-2,3,4,4,5-pentafluoro-5-(trifluoromethyl)oxolane
CID 89254684
2-(1,1-Difluoroethyl)-2,3,3,4,5-pentafluoro-4-methyl-5-(trifluoromethyl)oxolane
CID 89333716

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(1,1,2,2,3,3,3-heptafluoropropyl)oxolane?
The IUPAC name of 2,2-bis(1,1,2,2,3,3,3-heptafluoropropyl)oxolane (CID 175267791) is 2,2-bis(1,1,2,2,3,3,3-heptafluoropropyl)oxolane.
What is the SMILES notation for 2,2-bis(1,1,2,2,3,3,3-heptafluoropropyl)oxolane?
The canonical SMILES for 2,2-bis(1,1,2,2,3,3,3-heptafluoropropyl)oxolane is FC(F)(F)C(F)(F)C(F)(F)C1(C(F)(F)C(F)(F)C(F)(F)F)CCCO1.
What is the InChIKey of 2,2-bis(1,1,2,2,3,3,3-heptafluoropropyl)oxolane?
The InChIKey is AINXHWZQEPQPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F14O/c11-5(12,7(15,16)9(19,20)21)4(2-1-3-25-4)6(13,14)8(17,18)10(22,23)24/h1-3H2.
What are the key properties of 2,2-bis(1,1,2,2,3,3,3-heptafluoropropyl)oxolane?
2,2-bis(1,1,2,2,3,3,3-heptafluoropropyl)oxolane has a molecular weight of 408.13 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(1,1,2,2,3,3,3-heptafluoropropyl)oxolane is sourced from PubChem (CID 175267791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).