1,1,2,2,3,4,4,5,6,6-decafluoro-7-methylidene-3,5-bis(trifluoromethyl)cycloheptane

C10H2F16 — CID 91522154

IUPAC1,1,2,2,3,4,4,5,6,6-decafluoro-7-methylidene-3,5-bis(trifluoromethyl)cycloheptane
SMILESC=C1C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C10H2F16/c1-2-3(11,12)5(15,9(21,22)23)8(19,20)6(16,10(24,25)26)7(17,18)4(2,13)14/h1H2
InChIKeyABDUAHHDHSIWNS-UHFFFAOYSA-N
MW426.09 g/mol
LogP5.64
Rot. Bonds

About 1,1,2,2,3,4,4,5,6,6-decafluoro-7-methylidene-3,5-bis(trifluoromethyl)cycloheptane

1,1,2,2,3,4,4,5,6,6-decafluoro-7-methylidene-3,5-bis(trifluoromethyl)cycloheptane (PubChem CID 91522154) has the molecular formula C10H2F16 and a molecular weight of 426.09 g/mol. Its IUPAC name is 1,1,2,2,3,4,4,5,6,6-decafluoro-7-methylidene-3,5-bis(trifluoromethyl)cycloheptane.

Molecular Properties

Compound Name1,1,2,2,3,4,4,5,6,6-decafluoro-7-methylidene-3,5-bis(trifluoromethyl)cycloheptane
PubChem CID91522154
Molecular FormulaC10H2F16
Molecular Weight426.09 g/mol
Exact Mass425.99
IUPAC Name1,1,2,2,3,4,4,5,6,6-decafluoro-7-methylidene-3,5-bis(trifluoromethyl)cycloheptane
SMILESC=C1C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C10H2F16/c1-2-3(11,12)5(15,9(21,22)23)8(19,20)6(16,10(24,25)26)7(17,18)4(2,13)14/h1H2
InChIKeyABDUAHHDHSIWNS-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.09
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,4,4,5,6,6-decafluoro-7-methylidene-3,5-bis(trifluoromethyl)cycloheptane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,4,4,5,6,6-decafluoro-7-methylidene-3,5-bis(trifluoromethyl)cycloheptane?
The IUPAC name of 1,1,2,2,3,4,4,5,6,6-decafluoro-7-methylidene-3,5-bis(trifluoromethyl)cycloheptane (CID 91522154) is 1,1,2,2,3,4,4,5,6,6-decafluoro-7-methylidene-3,5-bis(trifluoromethyl)cycloheptane.
What is the SMILES notation for 1,1,2,2,3,4,4,5,6,6-decafluoro-7-methylidene-3,5-bis(trifluoromethyl)cycloheptane?
The canonical SMILES for 1,1,2,2,3,4,4,5,6,6-decafluoro-7-methylidene-3,5-bis(trifluoromethyl)cycloheptane is C=C1C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,4,4,5,6,6-decafluoro-7-methylidene-3,5-bis(trifluoromethyl)cycloheptane?
The InChIKey is ABDUAHHDHSIWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2F16/c1-2-3(11,12)5(15,9(21,22)23)8(19,20)6(16,10(24,25)26)7(17,18)4(2,13)14/h1H2.
What are the key properties of 1,1,2,2,3,4,4,5,6,6-decafluoro-7-methylidene-3,5-bis(trifluoromethyl)cycloheptane?
1,1,2,2,3,4,4,5,6,6-decafluoro-7-methylidene-3,5-bis(trifluoromethyl)cycloheptane has a molecular weight of 426.09 g/mol, XLogP of 5.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,4,4,5,6,6-decafluoro-7-methylidene-3,5-bis(trifluoromethyl)cycloheptane is sourced from PubChem (CID 91522154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).