4-(2,2-difluoroethyl)tetracyclo[6.2.1.13,6.02,7]dodecane

C14H20F2 — CID 58436095

IUPAC4-(2,2-difluoroethyl)tetracyclo[6.2.1.13,6.02,7]dodecane
SMILESFC(F)CC1CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C14H20F2/c15-12(16)6-9-4-10-5-11(9)14-8-2-1-7(3-8)13(10)14/h7-14H,1-6H2
InChIKeyLCLOQLFIJJVCTE-UHFFFAOYSA-N
MW226.31 g/mol
LogP3.96
Rot. Bonds2

About 4-(2,2-difluoroethyl)tetracyclo[6.2.1.13,6.02,7]dodecane

4-(2,2-difluoroethyl)tetracyclo[6.2.1.13,6.02,7]dodecane (PubChem CID 58436095) has the molecular formula C14H20F2 and a molecular weight of 226.31 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)tetracyclo[6.2.1.13,6.02,7]dodecane.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)tetracyclo[6.2.1.13,6.02,7]dodecane
PubChem CID58436095
Molecular FormulaC14H20F2
Molecular Weight226.31 g/mol
Exact Mass226.15
IUPAC Name4-(2,2-difluoroethyl)tetracyclo[6.2.1.13,6.02,7]dodecane
SMILESFC(F)CC1CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C14H20F2/c15-12(16)6-9-4-10-5-11(9)14-8-2-1-7(3-8)13(10)14/h7-14H,1-6H2
InChIKeyLCLOQLFIJJVCTE-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.31
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4:5,8-Dimethanonaphthalene, decahydro-,(1alpha,4alpha,4aalpha,5beta,8beta,8aalpha)-
CID 140005
4,5-Dimethyl-9-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane
CID 20743945
4,4-Difluoro-5,9,10-trimethyl-5-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 20768644
4,5-Dimethyl-9-(3,3,3-trifluoro-2,2-dimethylpropyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 20770051
2-(2-Bicyclo[2.2.1]heptanylmethyl)-5,6-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptane
CID 20826535
4-Methyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 20826541
4-(1,1,3,3,3-Pentafluoroprop-1-en-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 21053477
4-(Fluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 21053478
4-Fluoro-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 21053479
4-Methyl-9-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane
CID 21057443
4,9,10-Trimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 21301227
4-(Trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 22020356

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)tetracyclo[6.2.1.13,6.02,7]dodecane?
The IUPAC name of 4-(2,2-difluoroethyl)tetracyclo[6.2.1.13,6.02,7]dodecane (CID 58436095) is 4-(2,2-difluoroethyl)tetracyclo[6.2.1.13,6.02,7]dodecane.
What is the SMILES notation for 4-(2,2-difluoroethyl)tetracyclo[6.2.1.13,6.02,7]dodecane?
The canonical SMILES for 4-(2,2-difluoroethyl)tetracyclo[6.2.1.13,6.02,7]dodecane is FC(F)CC1CC2CC1C1C3CCC(C3)C21.
What is the InChIKey of 4-(2,2-difluoroethyl)tetracyclo[6.2.1.13,6.02,7]dodecane?
The InChIKey is LCLOQLFIJJVCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2/c15-12(16)6-9-4-10-5-11(9)14-8-2-1-7(3-8)13(10)14/h7-14H,1-6H2.
What are the key properties of 4-(2,2-difluoroethyl)tetracyclo[6.2.1.13,6.02,7]dodecane?
4-(2,2-difluoroethyl)tetracyclo[6.2.1.13,6.02,7]dodecane has a molecular weight of 226.31 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)tetracyclo[6.2.1.13,6.02,7]dodecane is sourced from PubChem (CID 58436095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).