1,1,1,2,3,3-hexafluoro-4-[3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-2-yl]oxy-2-(trifluoromethyl)pentane

C12H8F18O — CID 141059311

IUPAC1,1,1,2,3,3-hexafluoro-4-[3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-2-yl]oxy-2-(trifluoromethyl)pentane
SMILESCC(OC(C)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H8F18O/c1-3(5(13,14)7(17,9(19,20)21)10(22,23)24)31-4(2)6(15,16)8(18,11(25,26)27)12(28,29)30/h3-4H,1-2H3
InChIKeyKLALGQGHHUUFGF-UHFFFAOYSA-N
MW510.16 g/mol
LogP6.72
Rot. Bonds6

About 1,1,1,2,3,3-hexafluoro-4-[3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-2-yl]oxy-2-(trifluoromethyl)pentane

1,1,1,2,3,3-hexafluoro-4-[3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-2-yl]oxy-2-(trifluoromethyl)pentane (PubChem CID 141059311) has the molecular formula C12H8F18O and a molecular weight of 510.16 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-4-[3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-2-yl]oxy-2-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-4-[3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-2-yl]oxy-2-(trifluoromethyl)pentane
PubChem CID141059311
Molecular FormulaC12H8F18O
Molecular Weight510.16 g/mol
Exact Mass510.03
IUPAC Name1,1,1,2,3,3-hexafluoro-4-[3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-2-yl]oxy-2-(trifluoromethyl)pentane
SMILESCC(OC(C)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H8F18O/c1-3(5(13,14)7(17,9(19,20)21)10(22,23)24)31-4(2)6(15,16)8(18,11(25,26)27)12(28,29)30/h3-4H,1-2H3
InChIKeyKLALGQGHHUUFGF-UHFFFAOYSA-N
XLogP6.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.16
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1,1,2,3,3-hexafluoro-4-[3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-2-yl]oxy-2-(trifluoromethyl)pentane with MolForge

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Related Compounds

1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decan-2-yl]oxy-2-(trifluoromethyl)decane
CID 141408604
(3R)-2,2-dimethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]oxybutane
CID 168729792
1-chloro-3-(4-chloro-3,3,4-trifluorobutan-2-yl)oxy-1,2,2-trifluorobutane
CID 88789392
1-butan-2-ylperoxy-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane
CID 151831484
2-(difluoromethoxy)-1,1,1-trifluoropropane
CID 22178549
1,1,2,2,3,3,4,5,5-nonafluoro-6-methoxy-4-(trifluoromethyl)hexane
CID 170095946
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-methyl-8-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4-methyldecan-3-yl)oxydecane
CID 175309033
2,3-difluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-3-(trifluoromethyl)pentane
CID 130418426
2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
CID 4156734
[(2S)-3,3,4,4,4-pentafluorobutan-2-yl] 2-methylpropanoate
CID 153060888
bis(3,3,4,4,5,5,5-heptafluoropentan-2-yl) carbonate
CID 87652814
2,2-dimethyl-3-[1-[(2-methylpropan-2-yl)oxy]ethoxy]butane
CID 134572813

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-4-[3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-2-yl]oxy-2-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-4-[3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-2-yl]oxy-2-(trifluoromethyl)pentane (CID 141059311) is 1,1,1,2,3,3-hexafluoro-4-[3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-2-yl]oxy-2-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-4-[3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-2-yl]oxy-2-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-4-[3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-2-yl]oxy-2-(trifluoromethyl)pentane is CC(OC(C)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-4-[3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-2-yl]oxy-2-(trifluoromethyl)pentane?
The InChIKey is KLALGQGHHUUFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F18O/c1-3(5(13,14)7(17,9(19,20)21)10(22,23)24)31-4(2)6(15,16)8(18,11(25,26)27)12(28,29)30/h3-4H,1-2H3.
What are the key properties of 1,1,1,2,3,3-hexafluoro-4-[3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-2-yl]oxy-2-(trifluoromethyl)pentane?
1,1,1,2,3,3-hexafluoro-4-[3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-2-yl]oxy-2-(trifluoromethyl)pentane has a molecular weight of 510.16 g/mol, XLogP of 6.72, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-4-[3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-2-yl]oxy-2-(trifluoromethyl)pentane is sourced from PubChem (CID 141059311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).