4,4-difluoro-5,9,10-trimethyl-5-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane

C16H21F5 — CID 20768644

IUPAC4,4-difluoro-5,9,10-trimethyl-5-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane
SMILESCC1C(C)C2CC1C1C2C2CC1C(F)(F)C2(C)C(F)(F)F
InChIInChI=1S/C16H21F5/c1-6-7(2)9-4-8(6)12-10-5-11(13(9)12)15(17,18)14(10,3)16(19,20)21/h6-13H,4-5H2,1-3H3
InChIKeyWBDMBZMOGDCKKX-UHFFFAOYSA-N
MW308.33 g/mol
LogP4.99
Rot. Bonds

About 4,4-difluoro-5,9,10-trimethyl-5-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane

4,4-difluoro-5,9,10-trimethyl-5-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane (PubChem CID 20768644) has the molecular formula C16H21F5 and a molecular weight of 308.33 g/mol. Its IUPAC name is 4,4-difluoro-5,9,10-trimethyl-5-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane.

Molecular Properties

Compound Name4,4-difluoro-5,9,10-trimethyl-5-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane
PubChem CID20768644
Molecular FormulaC16H21F5
Molecular Weight308.33 g/mol
Exact Mass308.16
IUPAC Name4,4-difluoro-5,9,10-trimethyl-5-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane
SMILESCC1C(C)C2CC1C1C2C2CC1C(F)(F)C2(C)C(F)(F)F
InChIInChI=1S/C16H21F5/c1-6-7(2)9-4-8(6)12-10-5-11(13(9)12)15(17,18)14(10,3)16(19,20)21/h6-13H,4-5H2,1-3H3
InChIKeyWBDMBZMOGDCKKX-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-5,9,10-trimethyl-5-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane?
The IUPAC name of 4,4-difluoro-5,9,10-trimethyl-5-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane (CID 20768644) is 4,4-difluoro-5,9,10-trimethyl-5-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane.
What is the SMILES notation for 4,4-difluoro-5,9,10-trimethyl-5-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane?
The canonical SMILES for 4,4-difluoro-5,9,10-trimethyl-5-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane is CC1C(C)C2CC1C1C2C2CC1C(F)(F)C2(C)C(F)(F)F.
What is the InChIKey of 4,4-difluoro-5,9,10-trimethyl-5-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane?
The InChIKey is WBDMBZMOGDCKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F5/c1-6-7(2)9-4-8(6)12-10-5-11(13(9)12)15(17,18)14(10,3)16(19,20)21/h6-13H,4-5H2,1-3H3.
What are the key properties of 4,4-difluoro-5,9,10-trimethyl-5-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane?
4,4-difluoro-5,9,10-trimethyl-5-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane has a molecular weight of 308.33 g/mol, XLogP of 4.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-5,9,10-trimethyl-5-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane is sourced from PubChem (CID 20768644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).