fluoromethane;1,1,1-trifluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane;hydrofluoride

C11H17F11O — CID 91168841

IUPACfluoromethane;1,1,1-trifluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane;hydrofluoride
SMILESCC(CC(CCOCC(F)(F)F)C(F)(F)F)C(F)(F)F.CF.F
InChIInChI=1S/C10H13F9O.CH3F.FH/c1-6(9(14,15)16)4-7(10(17,18)19)2-3-20-5-8(11,12)13;1-2;/h6-7H,2-5H2,1H3;1H3;1H
InChIKeyKPSNKHCJDPAIPV-UHFFFAOYSA-N
MW374.23 g/mol
LogP5.46
Rot. Bonds6

About fluoromethane;1,1,1-trifluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane;hydrofluoride

fluoromethane;1,1,1-trifluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane;hydrofluoride (PubChem CID 91168841) has the molecular formula C11H17F11O and a molecular weight of 374.23 g/mol. Its IUPAC name is fluoromethane;1,1,1-trifluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane;hydrofluoride.

Molecular Properties

Compound Namefluoromethane;1,1,1-trifluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane;hydrofluoride
PubChem CID91168841
Molecular FormulaC11H17F11O
Molecular Weight374.23 g/mol
Exact Mass374.11
IUPAC Namefluoromethane;1,1,1-trifluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane;hydrofluoride
SMILESCC(CC(CCOCC(F)(F)F)C(F)(F)F)C(F)(F)F.CF.F
InChIInChI=1S/C10H13F9O.CH3F.FH/c1-6(9(14,15)16)4-7(10(17,18)19)2-3-20-5-8(11,12)13;1-2;/h6-7H,2-5H2,1H3;1H3;1H
InChIKeyKPSNKHCJDPAIPV-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.23
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoromethane;1,1,1-trifluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane;hydrofluoride?
The IUPAC name of fluoromethane;1,1,1-trifluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane;hydrofluoride (CID 91168841) is fluoromethane;1,1,1-trifluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane;hydrofluoride.
What is the SMILES notation for fluoromethane;1,1,1-trifluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane;hydrofluoride?
The canonical SMILES for fluoromethane;1,1,1-trifluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane;hydrofluoride is CC(CC(CCOCC(F)(F)F)C(F)(F)F)C(F)(F)F.CF.F.
What is the InChIKey of fluoromethane;1,1,1-trifluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane;hydrofluoride?
The InChIKey is KPSNKHCJDPAIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F9O.CH3F.FH/c1-6(9(14,15)16)4-7(10(17,18)19)2-3-20-5-8(11,12)13;1-2;/h6-7H,2-5H2,1H3;1H3;1H.
What are the key properties of fluoromethane;1,1,1-trifluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane;hydrofluoride?
fluoromethane;1,1,1-trifluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane;hydrofluoride has a molecular weight of 374.23 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;1,1,1-trifluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane;hydrofluoride is sourced from PubChem (CID 91168841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).