11,11-difluoro-3-phenyltetracyclo[6.3.0.02,6.05,9]undecan-3-ol

C17H18F2O — CID 166435269

IUPAC11,11-difluoro-3-phenyltetracyclo[6.3.0.02,6.05,9]undecan-3-ol
SMILESOC1(c2ccccc2)CC2C3CC(F)(F)C4C3CC2C41
InChIInChI=1S/C17H18F2O/c18-17(19)8-13-11-6-10-12(13)7-16(20,14(10)15(11)17)9-4-2-1-3-5-9/h1-5,10-15,20H,6-8H2
InChIKeyQCLNGMVSVOAZRP-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.43
Rot. Bonds1

About 11,11-difluoro-3-phenyltetracyclo[6.3.0.02,6.05,9]undecan-3-ol

11,11-difluoro-3-phenyltetracyclo[6.3.0.02,6.05,9]undecan-3-ol (PubChem CID 166435269) has the molecular formula C17H18F2O and a molecular weight of 276.33 g/mol. Its IUPAC name is 11,11-difluoro-3-phenyltetracyclo[6.3.0.02,6.05,9]undecan-3-ol.

Molecular Properties

Compound Name11,11-difluoro-3-phenyltetracyclo[6.3.0.02,6.05,9]undecan-3-ol
PubChem CID166435269
Molecular FormulaC17H18F2O
Molecular Weight276.33 g/mol
Exact Mass276.13
IUPAC Name11,11-difluoro-3-phenyltetracyclo[6.3.0.02,6.05,9]undecan-3-ol
SMILESOC1(c2ccccc2)CC2C3CC(F)(F)C4C3CC2C41
InChIInChI=1S/C17H18F2O/c18-17(19)8-13-11-6-10-12(13)7-16(20,14(10)15(11)17)9-4-2-1-3-5-9/h1-5,10-15,20H,6-8H2
InChIKeyQCLNGMVSVOAZRP-UHFFFAOYSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11,11-difluoro-3-phenyltetracyclo[6.3.0.02,6.05,9]undecan-3-ol?
The IUPAC name of 11,11-difluoro-3-phenyltetracyclo[6.3.0.02,6.05,9]undecan-3-ol (CID 166435269) is 11,11-difluoro-3-phenyltetracyclo[6.3.0.02,6.05,9]undecan-3-ol.
What is the SMILES notation for 11,11-difluoro-3-phenyltetracyclo[6.3.0.02,6.05,9]undecan-3-ol?
The canonical SMILES for 11,11-difluoro-3-phenyltetracyclo[6.3.0.02,6.05,9]undecan-3-ol is OC1(c2ccccc2)CC2C3CC(F)(F)C4C3CC2C41.
What is the InChIKey of 11,11-difluoro-3-phenyltetracyclo[6.3.0.02,6.05,9]undecan-3-ol?
The InChIKey is QCLNGMVSVOAZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O/c18-17(19)8-13-11-6-10-12(13)7-16(20,14(10)15(11)17)9-4-2-1-3-5-9/h1-5,10-15,20H,6-8H2.
What are the key properties of 11,11-difluoro-3-phenyltetracyclo[6.3.0.02,6.05,9]undecan-3-ol?
11,11-difluoro-3-phenyltetracyclo[6.3.0.02,6.05,9]undecan-3-ol has a molecular weight of 276.33 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-difluoro-3-phenyltetracyclo[6.3.0.02,6.05,9]undecan-3-ol is sourced from PubChem (CID 166435269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).