2-(difluoromethylidene)adamantane

C11H14F2 — CID 134850220

IUPAC2-(difluoromethylidene)adamantane
SMILESFC(F)=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H14F2/c12-11(13)10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2
InChIKeyKFGBSXDTWJBJFG-UHFFFAOYSA-N
MW184.23 g/mol
LogP3.59
Rot. Bonds

About 2-(difluoromethylidene)adamantane

2-(difluoromethylidene)adamantane (PubChem CID 134850220) has the molecular formula C11H14F2 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-(difluoromethylidene)adamantane.

Molecular Properties

Compound Name2-(difluoromethylidene)adamantane
PubChem CID134850220
Molecular FormulaC11H14F2
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-(difluoromethylidene)adamantane
SMILESFC(F)=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H14F2/c12-11(13)10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2
InChIKeyKFGBSXDTWJBJFG-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylidene)adamantane?
The IUPAC name of 2-(difluoromethylidene)adamantane (CID 134850220) is 2-(difluoromethylidene)adamantane.
What is the SMILES notation for 2-(difluoromethylidene)adamantane?
The canonical SMILES for 2-(difluoromethylidene)adamantane is FC(F)=C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(difluoromethylidene)adamantane?
The InChIKey is KFGBSXDTWJBJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2/c12-11(13)10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2.
What are the key properties of 2-(difluoromethylidene)adamantane?
2-(difluoromethylidene)adamantane has a molecular weight of 184.23 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylidene)adamantane is sourced from PubChem (CID 134850220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).