1-(trifluoromethyl)adamantane

C11H15F3 — CID 12736367

IUPAC1-(trifluoromethyl)adamantane
SMILESFC(F)(F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H15F3/c12-11(13,14)10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
InChIKeyIAALDLKZSIOJBP-UHFFFAOYSA-N
MW204.23 g/mol
LogP3.77
Rot. Bonds

About 1-(trifluoromethyl)adamantane

1-(trifluoromethyl)adamantane (PubChem CID 12736367) has the molecular formula C11H15F3 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(trifluoromethyl)adamantane.

Molecular Properties

Compound Name1-(trifluoromethyl)adamantane
PubChem CID12736367
Molecular FormulaC11H15F3
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name1-(trifluoromethyl)adamantane
SMILESFC(F)(F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H15F3/c12-11(13,14)10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
InChIKeyIAALDLKZSIOJBP-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)adamantane?
The IUPAC name of 1-(trifluoromethyl)adamantane (CID 12736367) is 1-(trifluoromethyl)adamantane.
What is the SMILES notation for 1-(trifluoromethyl)adamantane?
The canonical SMILES for 1-(trifluoromethyl)adamantane is FC(F)(F)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(trifluoromethyl)adamantane?
The InChIKey is IAALDLKZSIOJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3/c12-11(13,14)10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2.
What are the key properties of 1-(trifluoromethyl)adamantane?
1-(trifluoromethyl)adamantane has a molecular weight of 204.23 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)adamantane is sourced from PubChem (CID 12736367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).