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

C45F38 — CID 44512755

IUPAC1,2,3,4,5,6,8-heptafluoro-7-[1,3,4,5,6,8-hexafluoro-7-[1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluoren-2-yl]-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(-c5c(F)c(F)c6c(c5F)C(C(F)(F)F)(C(F)(F)F)c5c(F)c(F)c(F)c(F)c5-6)c(F)c(F)c3-4)c(F)c1C2(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C45F38/c46-17-7(9-19(48)13-3(23(52)29(9)58)5-15(31(60)35(64)33(62)25(5)54)38(13,42(72,73)74)43(75,76)77)27(56)21(50)1-2-12(37(11(1)17,40(66,67)68)41(69,70)71)18(47)8(28(57)22(2)51)10-20(49)14-4(24(53)30(10)59)6-16(32(61)36(65)34(63)26(6)55)39(14,44(78,79)80)45(81,82)83
InChIKeyGHCGFTSLWPCCSY-UHFFFAOYSA-N
MW1262.42 g/mol
LogP17.98
Rot. Bonds2

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

1,2,3,4,5,6,8-heptafluoro-7-[1,3,4,5,6,8-hexafluoro-7-[1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluorene (PubChem CID 44512755) has the molecular formula C45F38 and a molecular weight of 1262.42 g/mol. Its IUPAC name is 1,2,3,4,5,6,8-heptafluoro-7-[1,3,4,5,6,8-hexafluoro-7-[1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluorene.

Molecular Properties

Compound Name1,2,3,4,5,6,8-heptafluoro-7-[1,3,4,5,6,8-hexafluoro-7-[1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluorene
PubChem CID44512755
Molecular FormulaC45F38
Molecular Weight1262.42 g/mol
Exact Mass1261.94
IUPAC Name1,2,3,4,5,6,8-heptafluoro-7-[1,3,4,5,6,8-hexafluoro-7-[1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluoren-2-yl]-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(-c5c(F)c(F)c6c(c5F)C(C(F)(F)F)(C(F)(F)F)c5c(F)c(F)c(F)c(F)c5-6)c(F)c(F)c3-4)c(F)c1C2(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C45F38/c46-17-7(9-19(48)13-3(23(52)29(9)58)5-15(31(60)35(64)33(62)25(5)54)38(13,42(72,73)74)43(75,76)77)27(56)21(50)1-2-12(37(11(1)17,40(66,67)68)41(69,70)71)18(47)8(28(57)22(2)51)10-20(49)14-4(24(53)30(10)59)6-16(32(61)36(65)34(63)26(6)55)39(14,44(78,79)80)45(81,82)83
InChIKeyGHCGFTSLWPCCSY-UHFFFAOYSA-N
XLogP17.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001262.42
LogP ≤ 517.98
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'}

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8-heptafluoro-7-[1,3,4,5,6,8-hexafluoro-7-[1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluoren-2-yl]-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-[1,3,4,5,6,8-hexafluoro-7-[1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluorene (CID 44512755) is 1,2,3,4,5,6,8-heptafluoro-7-[1,3,4,5,6,8-hexafluoro-7-[1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluoren-2-yl]-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-[1,3,4,5,6,8-hexafluoro-7-[1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluoren-2-yl]-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-[1,3,4,5,6,8-hexafluoro-7-[1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluoren-2-yl]-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(-c5c(F)c(F)c6c(c5F)C(C(F)(F)F)(C(F)(F)F)c5c(F)c(F)c(F)c(F)c5-6)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-[1,3,4,5,6,8-hexafluoro-7-[1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluorene?
The InChIKey is GHCGFTSLWPCCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45F38/c46-17-7(9-19(48)13-3(23(52)29(9)58)5-15(31(60)35(64)33(62)25(5)54)38(13,42(72,73)74)43(75,76)77)27(56)21(50)1-2-12(37(11(1)17,40(66,67)68)41(69,70)71)18(47)8(28(57)22(2)51)10-20(49)14-4(24(53)30(10)59)6-16(32(61)36(65)34(63)26(6)55)39(14,44(78,79)80)45(81,82)83.
What are the key properties of 1,2,3,4,5,6,8-heptafluoro-7-[1,3,4,5,6,8-hexafluoro-7-[1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluorene?
1,2,3,4,5,6,8-heptafluoro-7-[1,3,4,5,6,8-hexafluoro-7-[1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluorene has a molecular weight of 1262.42 g/mol, XLogP of 17.98, 2 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-[1,3,4,5,6,8-hexafluoro-7-[1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluorene is sourced from PubChem (CID 44512755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).