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

C16H25F — CID 91325104

IUPAC4-(2-fluoro-2-methylpropyl)tetracyclo[6.2.1.13,6.02,7]dodecane
SMILESCC(C)(F)CC1CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C16H25F/c1-16(2,17)8-12-6-11-7-13(12)15-10-4-3-9(5-10)14(11)15/h9-15H,3-8H2,1-2H3
InChIKeyNOEJFRLGWTXUCV-UHFFFAOYSA-N
MW236.37 g/mol
LogP4.44
Rot. Bonds2

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

4-(2-fluoro-2-methylpropyl)tetracyclo[6.2.1.13,6.02,7]dodecane (PubChem CID 91325104) has the molecular formula C16H25F and a molecular weight of 236.37 g/mol. Its IUPAC name is 4-(2-fluoro-2-methylpropyl)tetracyclo[6.2.1.13,6.02,7]dodecane.

Molecular Properties

Compound Name4-(2-fluoro-2-methylpropyl)tetracyclo[6.2.1.13,6.02,7]dodecane
PubChem CID91325104
Molecular FormulaC16H25F
Molecular Weight236.37 g/mol
Exact Mass236.19
IUPAC Name4-(2-fluoro-2-methylpropyl)tetracyclo[6.2.1.13,6.02,7]dodecane
SMILESCC(C)(F)CC1CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C16H25F/c1-16(2,17)8-12-6-11-7-13(12)15-10-4-3-9(5-10)14(11)15/h9-15H,3-8H2,1-2H3
InChIKeyNOEJFRLGWTXUCV-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.37
LogP ≤ 54.44
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-(2-fluoro-2-methylpropyl)tetracyclo[6.2.1.13,6.02,7]dodecane?
The IUPAC name of 4-(2-fluoro-2-methylpropyl)tetracyclo[6.2.1.13,6.02,7]dodecane (CID 91325104) is 4-(2-fluoro-2-methylpropyl)tetracyclo[6.2.1.13,6.02,7]dodecane.
What is the SMILES notation for 4-(2-fluoro-2-methylpropyl)tetracyclo[6.2.1.13,6.02,7]dodecane?
The canonical SMILES for 4-(2-fluoro-2-methylpropyl)tetracyclo[6.2.1.13,6.02,7]dodecane is CC(C)(F)CC1CC2CC1C1C3CCC(C3)C21.
What is the InChIKey of 4-(2-fluoro-2-methylpropyl)tetracyclo[6.2.1.13,6.02,7]dodecane?
The InChIKey is NOEJFRLGWTXUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F/c1-16(2,17)8-12-6-11-7-13(12)15-10-4-3-9(5-10)14(11)15/h9-15H,3-8H2,1-2H3.
What are the key properties of 4-(2-fluoro-2-methylpropyl)tetracyclo[6.2.1.13,6.02,7]dodecane?
4-(2-fluoro-2-methylpropyl)tetracyclo[6.2.1.13,6.02,7]dodecane has a molecular weight of 236.37 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-2-methylpropyl)tetracyclo[6.2.1.13,6.02,7]dodecane is sourced from PubChem (CID 91325104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).