1,2,3,4,5,6,7,9,10-nonafluoro-8-(1,2,3,4,5,6,7,8-octafluoro-9H-fluoren-9-yl)pyrene

C29HF17 — CID 91101153

IUPAC1,2,3,4,5,6,7,9,10-nonafluoro-8-(1,2,3,4,5,6,7,8-octafluoro-9H-fluoren-9-yl)pyrene
SMILESFc1c(F)c(F)c2c(c1F)-c1c(F)c(F)c(F)c(F)c1C2c1c(F)c(F)c2c(F)c(F)c3c(F)c(F)c(F)c4c(F)c(F)c1c2c34
InChIInChI=1S/C29HF17/c30-13-4-1-2-11(20(13)37)23(40)25(42)24(41)12(2)22(39)21(38)10(1)19(36)14(31)5(4)3-6-8(17(34)28(45)26(43)15(6)32)9-7(3)16(33)27(44)29(46)18(9)35/h3H
InChIKeyKNRQUWIUDZFYPW-UHFFFAOYSA-N
MW672.29 g/mol
LogP10.11
Rot. Bonds1

About 1,2,3,4,5,6,7,9,10-nonafluoro-8-(1,2,3,4,5,6,7,8-octafluoro-9H-fluoren-9-yl)pyrene

1,2,3,4,5,6,7,9,10-nonafluoro-8-(1,2,3,4,5,6,7,8-octafluoro-9H-fluoren-9-yl)pyrene (PubChem CID 91101153) has the molecular formula C29HF17 and a molecular weight of 672.29 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,9,10-nonafluoro-8-(1,2,3,4,5,6,7,8-octafluoro-9H-fluoren-9-yl)pyrene.

Molecular Properties

Compound Name1,2,3,4,5,6,7,9,10-nonafluoro-8-(1,2,3,4,5,6,7,8-octafluoro-9H-fluoren-9-yl)pyrene
PubChem CID91101153
Molecular FormulaC29HF17
Molecular Weight672.29 g/mol
Exact Mass671.98
IUPAC Name1,2,3,4,5,6,7,9,10-nonafluoro-8-(1,2,3,4,5,6,7,8-octafluoro-9H-fluoren-9-yl)pyrene
SMILESFc1c(F)c(F)c2c(c1F)-c1c(F)c(F)c(F)c(F)c1C2c1c(F)c(F)c2c(F)c(F)c3c(F)c(F)c(F)c4c(F)c(F)c1c2c34
InChIInChI=1S/C29HF17/c30-13-4-1-2-11(20(13)37)23(40)25(42)24(41)12(2)22(39)21(38)10(1)19(36)14(31)5(4)3-6-8(17(34)28(45)26(43)15(6)32)9-7(3)16(33)27(44)29(46)18(9)35/h3H
InChIKeyKNRQUWIUDZFYPW-UHFFFAOYSA-N
XLogP10.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.29
LogP ≤ 510.11
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': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,9,10-nonafluoro-8-(1,2,3,4,5,6,7,8-octafluoro-9H-fluoren-9-yl)pyrene?
The IUPAC name of 1,2,3,4,5,6,7,9,10-nonafluoro-8-(1,2,3,4,5,6,7,8-octafluoro-9H-fluoren-9-yl)pyrene (CID 91101153) is 1,2,3,4,5,6,7,9,10-nonafluoro-8-(1,2,3,4,5,6,7,8-octafluoro-9H-fluoren-9-yl)pyrene.
What is the SMILES notation for 1,2,3,4,5,6,7,9,10-nonafluoro-8-(1,2,3,4,5,6,7,8-octafluoro-9H-fluoren-9-yl)pyrene?
The canonical SMILES for 1,2,3,4,5,6,7,9,10-nonafluoro-8-(1,2,3,4,5,6,7,8-octafluoro-9H-fluoren-9-yl)pyrene is Fc1c(F)c(F)c2c(c1F)-c1c(F)c(F)c(F)c(F)c1C2c1c(F)c(F)c2c(F)c(F)c3c(F)c(F)c(F)c4c(F)c(F)c1c2c34.
What is the InChIKey of 1,2,3,4,5,6,7,9,10-nonafluoro-8-(1,2,3,4,5,6,7,8-octafluoro-9H-fluoren-9-yl)pyrene?
The InChIKey is KNRQUWIUDZFYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29HF17/c30-13-4-1-2-11(20(13)37)23(40)25(42)24(41)12(2)22(39)21(38)10(1)19(36)14(31)5(4)3-6-8(17(34)28(45)26(43)15(6)32)9-7(3)16(33)27(44)29(46)18(9)35/h3H.
What are the key properties of 1,2,3,4,5,6,7,9,10-nonafluoro-8-(1,2,3,4,5,6,7,8-octafluoro-9H-fluoren-9-yl)pyrene?
1,2,3,4,5,6,7,9,10-nonafluoro-8-(1,2,3,4,5,6,7,8-octafluoro-9H-fluoren-9-yl)pyrene has a molecular weight of 672.29 g/mol, XLogP of 10.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,9,10-nonafluoro-8-(1,2,3,4,5,6,7,8-octafluoro-9H-fluoren-9-yl)pyrene is sourced from PubChem (CID 91101153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).