1,2,3,4,5,6,8-heptafluoro-7-[1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluorene

C30F26 — CID 44512756

IUPAC1,2,3,4,5,6,8-heptafluoro-7-[1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluorene
SMILESFc1c(F)c(F)c2c(c1F)-c1c(F)c(F)c(-c3c(F)c(F)c4c(c3F)C(C(F)(F)F)(C(F)(F)F)c3c(F)c(F)c(F)c(F)c3-4)c(F)c1C2(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C30F26/c31-11-5(17(37)13(33)1-3-9(19(39)23(43)21(41)15(3)35)25(7(1)11,27(45,46)47)28(48,49)50)6-12(32)8-2(14(34)18(6)38)4-10(20(40)24(44)22(42)16(4)36)26(8,29(51,52)53)30(54,55)56
InChIKeyMRWHMIQSCRGWLY-UHFFFAOYSA-N
MW854.28 g/mol
LogP12.08
Rot. Bonds1

About 1,2,3,4,5,6,8-heptafluoro-7-[1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluorene

1,2,3,4,5,6,8-heptafluoro-7-[1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluorene (PubChem CID 44512756) has the molecular formula C30F26 and a molecular weight of 854.28 g/mol. Its IUPAC name is 1,2,3,4,5,6,8-heptafluoro-7-[1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluorene.

Molecular Properties

Compound Name1,2,3,4,5,6,8-heptafluoro-7-[1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluorene
PubChem CID44512756
Molecular FormulaC30F26
Molecular Weight854.28 g/mol
Exact Mass853.96
IUPAC Name1,2,3,4,5,6,8-heptafluoro-7-[1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluorene
SMILESFc1c(F)c(F)c2c(c1F)-c1c(F)c(F)c(-c3c(F)c(F)c4c(c3F)C(C(F)(F)F)(C(F)(F)F)c3c(F)c(F)c(F)c(F)c3-4)c(F)c1C2(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C30F26/c31-11-5(17(37)13(33)1-3-9(19(39)23(43)21(41)15(3)35)25(7(1)11,27(45,46)47)28(48,49)50)6-12(32)8-2(14(34)18(6)38)4-10(20(40)24(44)22(42)16(4)36)26(8,29(51,52)53)30(54,55)56
InChIKeyMRWHMIQSCRGWLY-UHFFFAOYSA-N
XLogP12.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.28
LogP ≤ 512.08
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8-heptafluoro-7-[1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluorene?
The IUPAC name of 1,2,3,4,5,6,8-heptafluoro-7-[1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluorene (CID 44512756) is 1,2,3,4,5,6,8-heptafluoro-7-[1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluorene.
What is the SMILES notation for 1,2,3,4,5,6,8-heptafluoro-7-[1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluorene?
The canonical SMILES for 1,2,3,4,5,6,8-heptafluoro-7-[1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluorene is Fc1c(F)c(F)c2c(c1F)-c1c(F)c(F)c(-c3c(F)c(F)c4c(c3F)C(C(F)(F)F)(C(F)(F)F)c3c(F)c(F)c(F)c(F)c3-4)c(F)c1C2(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,2,3,4,5,6,8-heptafluoro-7-[1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluorene?
The InChIKey is MRWHMIQSCRGWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30F26/c31-11-5(17(37)13(33)1-3-9(19(39)23(43)21(41)15(3)35)25(7(1)11,27(45,46)47)28(48,49)50)6-12(32)8-2(14(34)18(6)38)4-10(20(40)24(44)22(42)16(4)36)26(8,29(51,52)53)30(54,55)56.
What are the key properties of 1,2,3,4,5,6,8-heptafluoro-7-[1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluorene?
1,2,3,4,5,6,8-heptafluoro-7-[1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluorene has a molecular weight of 854.28 g/mol, XLogP of 12.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,8-heptafluoro-7-[1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluorene is sourced from PubChem (CID 44512756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).