3,4,5,6-tetrafluoro-11-phenyltricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-ol

C18H14F4O — CID 23267672

IUPAC3,4,5,6-tetrafluoro-11-phenyltricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-ol
SMILESOC1(c2ccccc2)CC2Cc3c(F)c(F)c(F)c(F)c3C1C2
InChIInChI=1S/C18H14F4O/c19-14-11-6-9-7-12(13(11)15(20)17(22)16(14)21)18(23,8-9)10-4-2-1-3-5-10/h1-5,9,12,23H,6-8H2
InChIKeyQUZGIONZKYRMBC-UHFFFAOYSA-N
MW322.30 g/mol
LogP4.18
Rot. Bonds1

About 3,4,5,6-tetrafluoro-11-phenyltricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-ol

3,4,5,6-tetrafluoro-11-phenyltricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-ol (PubChem CID 23267672) has the molecular formula C18H14F4O and a molecular weight of 322.30 g/mol. Its IUPAC name is 3,4,5,6-tetrafluoro-11-phenyltricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-ol.

Molecular Properties

Compound Name3,4,5,6-tetrafluoro-11-phenyltricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-ol
PubChem CID23267672
Molecular FormulaC18H14F4O
Molecular Weight322.30 g/mol
Exact Mass322.10
IUPAC Name3,4,5,6-tetrafluoro-11-phenyltricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-ol
SMILESOC1(c2ccccc2)CC2Cc3c(F)c(F)c(F)c(F)c3C1C2
InChIInChI=1S/C18H14F4O/c19-14-11-6-9-7-12(13(11)15(20)17(22)16(14)21)18(23,8-9)10-4-2-1-3-5-10/h1-5,9,12,23H,6-8H2
InChIKeyQUZGIONZKYRMBC-UHFFFAOYSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4,5,6-tetrafluoro-11-phenyltricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-ol with MolForge

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Related Compounds

(1R,2S,4R)-2-phenylbicyclo[2.2.1]heptan-2-ol
CID 98544518
cis-(1R,2R)-1,2-diphenylcyclopropan-1-ol
CID 165358316
(1S,2S,4R,5S)-2,5-diphenylbicyclo[2.2.1]heptane-2,5-diol
CID 124803011
2-phenylbicyclo[2.2.1]heptane-2,5-diol
CID 59556115
(1S,8R,9S)-9-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol
CID 98477563
(1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol
CID 102394806
(1R,5R)-6-phenylbicyclo[3.2.0]heptan-6-ol
CID 135044945
(1R,2R,4R,5R,6S,8R)-2,4,6,8-tetraphenylbicyclo[3.3.1]nonane-2,6-diol
CID 95931344
(1S,2S,3S)-2,3-bis(hydroxymethyl)-1-phenylcyclobutan-1-ol
CID 10560294
(1R,2R,4S)-2-phenylbicyclo[2.2.1]hept-5-en-2-ol
CID 98523856
(1R,2R,4S,6S)-2-(4-phenylphenyl)bicyclo[2.2.2]octane-2,6-diol
CID 102394801
11,11-difluoro-3-phenyltetracyclo[6.3.0.02,6.05,9]undecan-3-ol
CID 166435269

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrafluoro-11-phenyltricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-ol?
The IUPAC name of 3,4,5,6-tetrafluoro-11-phenyltricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-ol (CID 23267672) is 3,4,5,6-tetrafluoro-11-phenyltricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-ol.
What is the SMILES notation for 3,4,5,6-tetrafluoro-11-phenyltricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-ol?
The canonical SMILES for 3,4,5,6-tetrafluoro-11-phenyltricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-ol is OC1(c2ccccc2)CC2Cc3c(F)c(F)c(F)c(F)c3C1C2.
What is the InChIKey of 3,4,5,6-tetrafluoro-11-phenyltricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-ol?
The InChIKey is QUZGIONZKYRMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4O/c19-14-11-6-9-7-12(13(11)15(20)17(22)16(14)21)18(23,8-9)10-4-2-1-3-5-10/h1-5,9,12,23H,6-8H2.
What are the key properties of 3,4,5,6-tetrafluoro-11-phenyltricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-ol?
3,4,5,6-tetrafluoro-11-phenyltricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-ol has a molecular weight of 322.30 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrafluoro-11-phenyltricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-ol is sourced from PubChem (CID 23267672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).