2-[1,1,3,3,3-pentafluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane

C12H14F8 — CID 90781490

IUPAC2-[1,1,3,3,3-pentafluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
SMILESCC(C(F)(F)F)(C(F)(F)F)C(F)(F)C1CC2CCC1C2
InChIInChI=1S/C12H14F8/c1-9(11(15,16)17,12(18,19)20)10(13,14)8-5-6-2-3-7(8)4-6/h6-8H,2-5H2,1H3
InChIKeyOSPBTYIKAGIMKU-UHFFFAOYSA-N
MW310.23 g/mol
LogP5.19
Rot. Bonds2

About 2-[1,1,3,3,3-pentafluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane

2-[1,1,3,3,3-pentafluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane (PubChem CID 90781490) has the molecular formula C12H14F8 and a molecular weight of 310.23 g/mol. Its IUPAC name is 2-[1,1,3,3,3-pentafluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[1,1,3,3,3-pentafluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
PubChem CID90781490
Molecular FormulaC12H14F8
Molecular Weight310.23 g/mol
Exact Mass310.10
IUPAC Name2-[1,1,3,3,3-pentafluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
SMILESCC(C(F)(F)F)(C(F)(F)F)C(F)(F)C1CC2CCC1C2
InChIInChI=1S/C12H14F8/c1-9(11(15,16)17,12(18,19)20)10(13,14)8-5-6-2-3-7(8)4-6/h6-8H,2-5H2,1H3
InChIKeyOSPBTYIKAGIMKU-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.23
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(Trifluoromethyl)bicyclo[2.2.1]heptane
CID 21927729
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexyl)bicyclo[2.2.1]heptane
CID 89413784
2,2-Difluoro-5-methylbicyclo[2.2.1]heptane
CID 45090371
2,2-Difluoro-6-methylbicyclo[2.2.1]heptane
CID 45090372
(1R,2R,3S,4S)-2-iodo-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]heptane
CID 162401848
(1R,3S,4S)-2,2-difluoro-3-methylbicyclo[2.2.1]heptane
CID 21633583
(1R,4S,5R)-2,2-difluoro-5-methylbicyclo[2.2.1]heptane
CID 21633587
(1S,4S,6S)-2,2-difluoro-6-methylbicyclo[2.2.1]heptane
CID 21633589
(1S,4S,6R)-2,2-difluoro-6-methylbicyclo[2.2.1]heptane
CID 21633590
2-(3,3-Difluoropropyl)bicyclo[2.2.1]heptane
CID 72784750
2-(3,3,3-Trifluoropropyl)bicyclo[2.2.1]heptane
CID 12176694
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)-3-iodobicyclo[2.2.1]heptane
CID 13213431

Frequently Asked Questions

What is the IUPAC name of 2-[1,1,3,3,3-pentafluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane?
The IUPAC name of 2-[1,1,3,3,3-pentafluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane (CID 90781490) is 2-[1,1,3,3,3-pentafluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[1,1,3,3,3-pentafluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane?
The canonical SMILES for 2-[1,1,3,3,3-pentafluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane is CC(C(F)(F)F)(C(F)(F)F)C(F)(F)C1CC2CCC1C2.
What is the InChIKey of 2-[1,1,3,3,3-pentafluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane?
The InChIKey is OSPBTYIKAGIMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F8/c1-9(11(15,16)17,12(18,19)20)10(13,14)8-5-6-2-3-7(8)4-6/h6-8H,2-5H2,1H3.
What are the key properties of 2-[1,1,3,3,3-pentafluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane?
2-[1,1,3,3,3-pentafluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane has a molecular weight of 310.23 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1,3,3,3-pentafluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 90781490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).