15-(2,3,4,5,6-pentafluorophenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene

C22H13F5 — CID 177419488

IUPAC15-(2,3,4,5,6-pentafluorophenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
SMILESFc1c(F)c(F)c(C2CC3c4ccccc4C2c2ccccc23)c(F)c1F
InChIInChI=1S/C22H13F5/c23-18-17(19(24)21(26)22(27)20(18)25)15-9-14-10-5-1-3-7-12(10)16(15)13-8-4-2-6-11(13)14/h1-8,14-16H,9H2
InChIKeyGQOGSVFKWDZYRW-UHFFFAOYSA-N
MW372.34 g/mol
LogP6.15
Rot. Bonds1

About 15-(2,3,4,5,6-pentafluorophenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene

15-(2,3,4,5,6-pentafluorophenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene (PubChem CID 177419488) has the molecular formula C22H13F5 and a molecular weight of 372.34 g/mol. Its IUPAC name is 15-(2,3,4,5,6-pentafluorophenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene.

Molecular Properties

Compound Name15-(2,3,4,5,6-pentafluorophenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
PubChem CID177419488
Molecular FormulaC22H13F5
Molecular Weight372.34 g/mol
Exact Mass372.09
IUPAC Name15-(2,3,4,5,6-pentafluorophenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
SMILESFc1c(F)c(F)c(C2CC3c4ccccc4C2c2ccccc23)c(F)c1F
InChIInChI=1S/C22H13F5/c23-18-17(19(24)21(26)22(27)20(18)25)15-9-14-10-5-1-3-7-12(10)16(15)13-8-4-2-6-11(13)14/h1-8,14-16H,9H2
InChIKeyGQOGSVFKWDZYRW-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.34
LogP ≤ 56.15
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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Related Compounds

3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol
CID 3020939
(1R,3R)-1-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-indene
CID 129382987
tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;hydrochloride
CID 158531622
2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylidene)cyclohexane-1,3-dione
CID 10087895
(15S,18R)-pentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaene
CID 95564439
(1S,3S)-3-(4-fluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 59582051
(1S,9S)-tetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-one
CID 98115763
(1R)-1-methyl-3-phenyl-2,3-dihydro-1H-indene
CID 163676750
(5S)-tricyclo[4.4.0.02,5]deca-1(10),6,8-triene
CID 68882978
2-(3-methyl-2,3-dihydro-1H-inden-1-yl)phenol
CID 174602517
N,N-diethyl-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethanamine;hydrochloride
CID 21126838
(15S)-N-[2-(trifluoromethyl)phenyl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 1331323

Frequently Asked Questions

What is the IUPAC name of 15-(2,3,4,5,6-pentafluorophenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene?
The IUPAC name of 15-(2,3,4,5,6-pentafluorophenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene (CID 177419488) is 15-(2,3,4,5,6-pentafluorophenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene.
What is the SMILES notation for 15-(2,3,4,5,6-pentafluorophenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene?
The canonical SMILES for 15-(2,3,4,5,6-pentafluorophenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene is Fc1c(F)c(F)c(C2CC3c4ccccc4C2c2ccccc23)c(F)c1F.
What is the InChIKey of 15-(2,3,4,5,6-pentafluorophenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene?
The InChIKey is GQOGSVFKWDZYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F5/c23-18-17(19(24)21(26)22(27)20(18)25)15-9-14-10-5-1-3-7-12(10)16(15)13-8-4-2-6-11(13)14/h1-8,14-16H,9H2.
What are the key properties of 15-(2,3,4,5,6-pentafluorophenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene?
15-(2,3,4,5,6-pentafluorophenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene has a molecular weight of 372.34 g/mol, XLogP of 6.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(2,3,4,5,6-pentafluorophenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene is sourced from PubChem (CID 177419488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).