1,2-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3,4-bis(trifluoromethyl)cyclobutene

C14H2F24 — CID 57185538

IUPAC1,2-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3,4-bis(trifluoromethyl)cyclobutene
SMILESFC(F)(F)C1C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1C(F)(F)F
InChIInChI=1S/C14H2F24/c15-5(16,9(25,26)11(29,30)13(33,34)35)1-2(4(8(22,23)24)3(1)7(19,20)21)6(17,18)10(27,28)12(31,32)14(36,37)38/h3-4H
InChIKeyWNUPRRCHXJQMRF-UHFFFAOYSA-N
MW626.12 g/mol
LogP8.59
Rot. Bonds6

About 1,2-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3,4-bis(trifluoromethyl)cyclobutene

1,2-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3,4-bis(trifluoromethyl)cyclobutene (PubChem CID 57185538) has the molecular formula C14H2F24 and a molecular weight of 626.12 g/mol. Its IUPAC name is 1,2-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3,4-bis(trifluoromethyl)cyclobutene.

Molecular Properties

Compound Name1,2-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3,4-bis(trifluoromethyl)cyclobutene
PubChem CID57185538
Molecular FormulaC14H2F24
Molecular Weight626.12 g/mol
Exact Mass625.98
IUPAC Name1,2-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3,4-bis(trifluoromethyl)cyclobutene
SMILESFC(F)(F)C1C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1C(F)(F)F
InChIInChI=1S/C14H2F24/c15-5(16,9(25,26)11(29,30)13(33,34)35)1-2(4(8(22,23)24)3(1)7(19,20)21)6(17,18)10(27,28)12(31,32)14(36,37)38/h3-4H
InChIKeyWNUPRRCHXJQMRF-UHFFFAOYSA-N
XLogP8.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.12
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3,4-bis(trifluoromethyl)cyclobutene with MolForge

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Related Compounds

1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene
CID 15912830
CID 175811708
CID 175811708
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235
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CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;hydrochloride
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CID 6432
N-methyl-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline
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1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl-(2,3,4,5,6-pentafluorophenyl)iodanium
CID 87467530
1,2,3,4-tetrafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-6-[2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]sulfanylbenzene
CID 139824296
1,2,3,4-tetrafluoro-5-iodo-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)benzene
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CID 10649896

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3,4-bis(trifluoromethyl)cyclobutene?
The IUPAC name of 1,2-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3,4-bis(trifluoromethyl)cyclobutene (CID 57185538) is 1,2-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3,4-bis(trifluoromethyl)cyclobutene.
What is the SMILES notation for 1,2-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3,4-bis(trifluoromethyl)cyclobutene?
The canonical SMILES for 1,2-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3,4-bis(trifluoromethyl)cyclobutene is FC(F)(F)C1C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1C(F)(F)F.
What is the InChIKey of 1,2-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3,4-bis(trifluoromethyl)cyclobutene?
The InChIKey is WNUPRRCHXJQMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H2F24/c15-5(16,9(25,26)11(29,30)13(33,34)35)1-2(4(8(22,23)24)3(1)7(19,20)21)6(17,18)10(27,28)12(31,32)14(36,37)38/h3-4H.
What are the key properties of 1,2-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3,4-bis(trifluoromethyl)cyclobutene?
1,2-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3,4-bis(trifluoromethyl)cyclobutene has a molecular weight of 626.12 g/mol, XLogP of 8.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3,4-bis(trifluoromethyl)cyclobutene is sourced from PubChem (CID 57185538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).