1,1,2,2,3,3,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)butane

C6H2F10O — CID 88901327

IUPAC1,1,2,2,3,3,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)butane
SMILESFCC(F)(F)C(F)(F)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C6H2F10O/c7-1-4(11,12)5(13,14)6(15,16)17-3(10)2(8)9/h1H2
InChIKeyQZSGVOGINKXOJV-UHFFFAOYSA-N
MW280.06 g/mol
LogP3.87
Rot. Bonds5

About 1,1,2,2,3,3,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)butane

1,1,2,2,3,3,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)butane (PubChem CID 88901327) has the molecular formula C6H2F10O and a molecular weight of 280.06 g/mol. Its IUPAC name is 1,1,2,2,3,3,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)butane.

Molecular Properties

Compound Name1,1,2,2,3,3,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)butane
PubChem CID88901327
Molecular FormulaC6H2F10O
Molecular Weight280.06 g/mol
Exact Mass279.99
IUPAC Name1,1,2,2,3,3,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)butane
SMILESFCC(F)(F)C(F)(F)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C6H2F10O/c7-1-4(11,12)5(13,14)6(15,16)17-3(10)2(8)9/h1H2
InChIKeyQZSGVOGINKXOJV-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.06
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31-trihexacontafluoro-31-(1,2,2-trifluoroethenoxy)hentriacontane
CID 175893093
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-(1,2,2-trifluoroethenoxy)octane
CID 19837350
1,1,2,2,3,3,4,4-octafluoro-1-(1,2,2-trifluoroethenoxy)pentane
CID 88551399
1,1,2,3,3,4,4,5,5-nonafluoro-5-(1,2,2-trifluoroethenoxy)pent-1-ene
CID 14496010
2,2,3,3,4,4,5,5,6,6-decafluoro-6-(1,2,2-trifluoroethenoxy)hexanoyl fluoride
CID 100950644
1,1,2,2,3,3,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)butane;1,1,1,3,3-pentafluoro-3-(1,2,2-trifluoroethenoxy)propane;tetrakis(sulfuryl difluoride);1,1,2-trifluoroethyl hypofluorite;1,1,2-trifluoro-1-(1,2,2-trifluoroethenoxy)ethane;2,3,3-trifluoro-3-(1,1,2-trifluoroethoxy)prop-1-ene
CID 157479016
1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoro-2-iodoethoxy)-4-(1,2,2-trifluoroethenoxy)butane
CID 175689779
2,2,3,3,4,4-hexafluoro-4-(1,2,2-trifluoroethenoxy)butanoyl chloride
CID 131719956
2-[difluoro(1,2,2-trifluoroethenoxy)methyl]-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane
CID 121433205
(E)-1,1,1,2,3,4,4,5,5,6,6,7-dodecafluorohept-2-ene
CID 87277497
methyl 2,2,3,3,4,4-hexafluoro-4-(1,2,2-trifluoroethenoxy)butanoate
CID 11403991
1,1,2,2,3,3,4,4,5,5-decafluoro-5-(1,2,2-trifluoroethenoxy)pentane-1-sulfonyl fluoride
CID 175997144

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)butane?
The IUPAC name of 1,1,2,2,3,3,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)butane (CID 88901327) is 1,1,2,2,3,3,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)butane.
What is the SMILES notation for 1,1,2,2,3,3,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)butane?
The canonical SMILES for 1,1,2,2,3,3,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)butane is FCC(F)(F)C(F)(F)C(F)(F)OC(F)=C(F)F.
What is the InChIKey of 1,1,2,2,3,3,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)butane?
The InChIKey is QZSGVOGINKXOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F10O/c7-1-4(11,12)5(13,14)6(15,16)17-3(10)2(8)9/h1H2.
What are the key properties of 1,1,2,2,3,3,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)butane?
1,1,2,2,3,3,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)butane has a molecular weight of 280.06 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)butane is sourced from PubChem (CID 88901327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).