2,4-difluoroadamantane

C10H14F2 — CID 13186696

IUPAC2,4-difluoroadamantane
SMILESFC1C2CC3CC(C2)C(F)C1C3
InChIInChI=1S/C10H14F2/c11-9-6-1-5-2-7(4-6)10(12)8(9)3-5/h5-10H,1-4H2
InChIKeyIYFBIEZTKAKJDR-UHFFFAOYSA-N
MW172.22 g/mol
LogP2.73
Rot. Bonds

About 2,4-difluoroadamantane

2,4-difluoroadamantane (PubChem CID 13186696) has the molecular formula C10H14F2 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2,4-difluoroadamantane.

Molecular Properties

Compound Name2,4-difluoroadamantane
PubChem CID13186696
Molecular FormulaC10H14F2
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2,4-difluoroadamantane
SMILESFC1C2CC3CC(C2)C(F)C1C3
InChIInChI=1S/C10H14F2/c11-9-6-1-5-2-7(4-6)10(12)8(9)3-5/h5-10H,1-4H2
InChIKeyIYFBIEZTKAKJDR-UHFFFAOYSA-N
XLogP2.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoroadamantane?
The IUPAC name of 2,4-difluoroadamantane (CID 13186696) is 2,4-difluoroadamantane.
What is the SMILES notation for 2,4-difluoroadamantane?
The canonical SMILES for 2,4-difluoroadamantane is FC1C2CC3CC(C2)C(F)C1C3.
What is the InChIKey of 2,4-difluoroadamantane?
The InChIKey is IYFBIEZTKAKJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2/c11-9-6-1-5-2-7(4-6)10(12)8(9)3-5/h5-10H,1-4H2.
What are the key properties of 2,4-difluoroadamantane?
2,4-difluoroadamantane has a molecular weight of 172.22 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoroadamantane is sourced from PubChem (CID 13186696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).