1-(2,2,2-trifluoroethyl)adamantane

C12H17F3 — CID 13197348

IUPAC1-(2,2,2-trifluoroethyl)adamantane
SMILESFC(F)(F)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H17F3/c13-12(14,15)7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7H2
InChIKeyHYBJUADJGKYWEY-UHFFFAOYSA-N
MW218.26 g/mol
LogP4.16
Rot. Bonds1

About 1-(2,2,2-trifluoroethyl)adamantane

1-(2,2,2-trifluoroethyl)adamantane (PubChem CID 13197348) has the molecular formula C12H17F3 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)adamantane.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)adamantane
PubChem CID13197348
Molecular FormulaC12H17F3
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name1-(2,2,2-trifluoroethyl)adamantane
SMILESFC(F)(F)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H17F3/c13-12(14,15)7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7H2
InChIKeyHYBJUADJGKYWEY-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-Dimethyladamantane
CID 12800
1,3,5-Trimethyladamantane
CID 136552
1-Methyladamantane
CID 136607
1,2-Difluoro-adamantane
CID 3592660
2,2-Difluoroadamantane
CID 1536378
1-Fluoroadamantane
CID 136608
2-Fluoroadamantane
CID 140118
1-Ethyl-3-methyladamantane
CID 519330
1,3-Dimethyl-5-ethyladamantane
CID 519331
1-Ethyladamantane
CID 522637
1,3-Difluoroadamantane
CID 13620132
1,3-Bis(1,1,2,3,3,3-hexafluoropropyl)adamantane
CID 13076704

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)adamantane?
The IUPAC name of 1-(2,2,2-trifluoroethyl)adamantane (CID 13197348) is 1-(2,2,2-trifluoroethyl)adamantane.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)adamantane?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)adamantane is FC(F)(F)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)adamantane?
The InChIKey is HYBJUADJGKYWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3/c13-12(14,15)7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)adamantane?
1-(2,2,2-trifluoroethyl)adamantane has a molecular weight of 218.26 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)adamantane is sourced from PubChem (CID 13197348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).