4-(1,1,1,2,3,3-hexafluorobutan-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane

C16H20F6 — CID 89368912

IUPAC4-(1,1,1,2,3,3-hexafluorobutan-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane
SMILESCC(F)(F)C(F)(C1CC2CC1C1C3CCC(C3)C21)C(F)(F)F
InChIInChI=1S/C16H20F6/c1-14(17,18)15(19,16(20,21)22)11-6-9-5-10(11)13-8-3-2-7(4-8)12(9)13/h7-13H,2-6H2,1H3
InChIKeySHDFUZDXXYLFOR-UHFFFAOYSA-N
MW326.32 g/mol
LogP5.23
Rot. Bonds2

About 4-(1,1,1,2,3,3-hexafluorobutan-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane

4-(1,1,1,2,3,3-hexafluorobutan-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane (PubChem CID 89368912) has the molecular formula C16H20F6 and a molecular weight of 326.32 g/mol. Its IUPAC name is 4-(1,1,1,2,3,3-hexafluorobutan-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane.

Molecular Properties

Compound Name4-(1,1,1,2,3,3-hexafluorobutan-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane
PubChem CID89368912
Molecular FormulaC16H20F6
Molecular Weight326.32 g/mol
Exact Mass326.15
IUPAC Name4-(1,1,1,2,3,3-hexafluorobutan-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane
SMILESCC(F)(F)C(F)(C1CC2CC1C1C3CCC(C3)C21)C(F)(F)F
InChIInChI=1S/C16H20F6/c1-14(17,18)15(19,16(20,21)22)11-6-9-5-10(11)13-8-3-2-7(4-8)12(9)13/h7-13H,2-6H2,1H3
InChIKeySHDFUZDXXYLFOR-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.32
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-(1,1,1,2,3,3-hexafluorobutan-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yl acetate
CID 20736138
4-(2-fluoro-2-methylpropyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 91325104
4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 565737
(1R,2S,3S,6S,7S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
CID 130857696
1,1-bis(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethyl prop-2-enoate
CID 91159013
4-(2-fluoro-2-methylbutoxy)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 91014732
2,2,3,3,4,4-hexafluoro-4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)butane-1-sulfonate
CID 140694094
ethane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 91205881
benzene;bis(2,2-dimethylpropane);ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);tricyclo[5.2.1.02,6]decane
CID 158467190
1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;2-methylpropane
CID 91518589
1,1,1,3,3-pentafluorobutan-2-yl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 71263581
2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yl piperidine-1-carboxylate
CID 170530183

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,2,3,3-hexafluorobutan-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane?
The IUPAC name of 4-(1,1,1,2,3,3-hexafluorobutan-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane (CID 89368912) is 4-(1,1,1,2,3,3-hexafluorobutan-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane.
What is the SMILES notation for 4-(1,1,1,2,3,3-hexafluorobutan-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane?
The canonical SMILES for 4-(1,1,1,2,3,3-hexafluorobutan-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane is CC(F)(F)C(F)(C1CC2CC1C1C3CCC(C3)C21)C(F)(F)F.
What is the InChIKey of 4-(1,1,1,2,3,3-hexafluorobutan-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane?
The InChIKey is SHDFUZDXXYLFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F6/c1-14(17,18)15(19,16(20,21)22)11-6-9-5-10(11)13-8-3-2-7(4-8)12(9)13/h7-13H,2-6H2,1H3.
What are the key properties of 4-(1,1,1,2,3,3-hexafluorobutan-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane?
4-(1,1,1,2,3,3-hexafluorobutan-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane has a molecular weight of 326.32 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,2,3,3-hexafluorobutan-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane is sourced from PubChem (CID 89368912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).