1,3,6,6-tetrafluoroadamantane

C10H12F4 — CID 12566535

IUPAC1,3,6,6-tetrafluoroadamantane
SMILESFC12CC3CC(F)(CC(C1)C3(F)F)C2
InChIInChI=1S/C10H12F4/c11-8-1-6-2-9(12,5-8)4-7(3-8)10(6,13)14/h6-7H,1-5H2
InChIKeyQZWBHJNYDFHSMP-UHFFFAOYSA-N
MW208.20 g/mol
LogP3.26
Rot. Bonds

About 1,3,6,6-tetrafluoroadamantane

1,3,6,6-tetrafluoroadamantane (PubChem CID 12566535) has the molecular formula C10H12F4 and a molecular weight of 208.20 g/mol. Its IUPAC name is 1,3,6,6-tetrafluoroadamantane.

Molecular Properties

Compound Name1,3,6,6-tetrafluoroadamantane
PubChem CID12566535
Molecular FormulaC10H12F4
Molecular Weight208.20 g/mol
Exact Mass208.09
IUPAC Name1,3,6,6-tetrafluoroadamantane
SMILESFC12CC3CC(F)(CC(C1)C3(F)F)C2
InChIInChI=1S/C10H12F4/c11-8-1-6-2-9(12,5-8)4-7(3-8)10(6,13)14/h6-7H,1-5H2
InChIKeyQZWBHJNYDFHSMP-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-Difluoro-adamantane
CID 3592660
2,2-Difluoroadamantane
CID 1536378
1-Fluoroadamantane
CID 136608
2-Fluoroadamantane
CID 140118
1,3-Difluoroadamantane
CID 13620132
1,3-Bis(1,1,2,3,3,3-hexafluoropropyl)adamantane
CID 13076704
1,3,5-Trifluoroadamantane
CID 12566525
Tetrafluoroadamantane
CID 12566526
1-(Trifluoromethyl)adamantane
CID 12736367
1-Fluoro-3-(trifluoromethyl)adamantane
CID 13401036
1,3,5,7-Tetrakis(1,1,2,3,3,3-hexafluoropropyl)adamantane
CID 15524972
Tetrafluroadamantane
CID 129867979

Frequently Asked Questions

What is the IUPAC name of 1,3,6,6-tetrafluoroadamantane?
The IUPAC name of 1,3,6,6-tetrafluoroadamantane (CID 12566535) is 1,3,6,6-tetrafluoroadamantane.
What is the SMILES notation for 1,3,6,6-tetrafluoroadamantane?
The canonical SMILES for 1,3,6,6-tetrafluoroadamantane is FC12CC3CC(F)(CC(C1)C3(F)F)C2.
What is the InChIKey of 1,3,6,6-tetrafluoroadamantane?
The InChIKey is QZWBHJNYDFHSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4/c11-8-1-6-2-9(12,5-8)4-7(3-8)10(6,13)14/h6-7H,1-5H2.
What are the key properties of 1,3,6,6-tetrafluoroadamantane?
1,3,6,6-tetrafluoroadamantane has a molecular weight of 208.20 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6,6-tetrafluoroadamantane is sourced from PubChem (CID 12566535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).