1,2,3,4,5-pentafluoro-6-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl)benzene

C12F16 — CID 141281637

IUPAC1,2,3,4,5-pentafluoro-6-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl)benzene
SMILESFC(=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12F16/c13-2-1(3(14)6(17)7(18)5(2)16)4(15)8(19)9(20,21)10(22,23)11(24,25)12(26,27)28
InChIKeyFMVKMKAQSNURFC-UHFFFAOYSA-N
MW448.10 g/mol
LogP6.46
Rot. Bonds4

About 1,2,3,4,5-pentafluoro-6-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl)benzene

1,2,3,4,5-pentafluoro-6-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl)benzene (PubChem CID 141281637) has the molecular formula C12F16 and a molecular weight of 448.10 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl)benzene
PubChem CID141281637
Molecular FormulaC12F16
Molecular Weight448.10 g/mol
Exact Mass447.97
IUPAC Name1,2,3,4,5-pentafluoro-6-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl)benzene
SMILESFC(=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12F16/c13-2-1(3(14)6(17)7(18)5(2)16)4(15)8(19)9(20,21)10(22,23)11(24,25)12(26,27)28
InChIKeyFMVKMKAQSNURFC-UHFFFAOYSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.10
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,2,3,4,5-pentafluoro-6-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1,2,2,3,3,4,4,5,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododec-5-ene
CID 85237088
1,2,3,4-tetrafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-6-(1,2,2-trifluoroethenyl)benzene
CID 172717406
2,3,4,6-tetrafluoro-5-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enoxy)aniline
CID 139811452
2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluoro-1-(2,3,4,5,6-pentafluorophenyl)decane-1,3-dione
CID 140518745
[difluoro(1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoronon-1-enoxy)methyl]-[(2,3,4,5,6-pentafluorobenzoyl)amino]-bis(trifluoromethyl)azanium
CID 155668519
dichloro-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane;dichloro-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane
CID 160824364
2,3,4,6-tetrafluoro-5-(1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoronon-1-enoxy)aniline
CID 139811474
(Z)-2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1-(2,3,4,5,6-pentafluorophenyl)butan-1-imine
CID 11071967
1,1,2,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-(1,1,2,3,4,4,5,5,6,6,7,7,7-tridecafluorohept-2-enoxy)hept-2-ene
CID 154941709
1-[2,2-difluoro-1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)ethenyl]-2,3,4,5,6-pentafluorobenzene
CID 87663309
(E)-1,1,2,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooct-2-ene-1-sulfonic acid
CID 162420438
1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodec-1-enylboronic acid
CID 175476066

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl)benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl)benzene (CID 141281637) is 1,2,3,4,5-pentafluoro-6-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl)benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl)benzene is FC(=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl)benzene?
The InChIKey is FMVKMKAQSNURFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F16/c13-2-1(3(14)6(17)7(18)5(2)16)4(15)8(19)9(20,21)10(22,23)11(24,25)12(26,27)28.
What are the key properties of 1,2,3,4,5-pentafluoro-6-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl)benzene?
1,2,3,4,5-pentafluoro-6-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl)benzene has a molecular weight of 448.10 g/mol, XLogP of 6.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl)benzene is sourced from PubChem (CID 141281637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).