4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhexane

C15H30F2O2 — CID 88972551

IUPAC4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhexane
SMILESCC(C)C(F)(F)CCCOC(C)(C)COC(C)(C)C
InChIInChI=1S/C15H30F2O2/c1-12(2)15(16,17)9-8-10-18-14(6,7)11-19-13(3,4)5/h12H,8-11H2,1-7H3
InChIKeyGHCFKGPYLICXCG-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.67
Rot. Bonds8

About 4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhexane

4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhexane (PubChem CID 88972551) has the molecular formula C15H30F2O2 and a molecular weight of 280.40 g/mol. Its IUPAC name is 4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhexane.

Molecular Properties

Compound Name4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhexane
PubChem CID88972551
Molecular FormulaC15H30F2O2
Molecular Weight280.40 g/mol
Exact Mass280.22
IUPAC Name4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhexane
SMILESCC(C)C(F)(F)CCCOC(C)(C)COC(C)(C)C
InChIInChI=1S/C15H30F2O2/c1-12(2)15(16,17)9-8-10-18-14(6,7)11-19-13(3,4)5/h12H,8-11H2,1-7H3
InChIKeyGHCFKGPYLICXCG-UHFFFAOYSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,6,7,7,7-Octafluoro-4-[2-(2-methoxyethoxy)ethyl]-2,6-bis(trifluoromethyl)heptane
CID 57709751
6-Ethoxy-1,1,1-trifluoro-2-methanidylhexane;rutherfordium
CID 58766550
6-Ethoxy-1,1,1-trifluoro-2-methylhexane
CID 58766551
1-(4,4-Difluoro-5-methylhexoxy)-2-propan-2-yloxycyclobutane
CID 70791124
1-(4,4-Difluoro-5-methylhexoxy)-2-propan-2-yloxycyclopropane
CID 70791130
1-(4,4-Difluoro-5-methylhexoxy)-2-methoxycyclobutane
CID 70794063
1-(4,4-Difluoro-5-methylhexoxy)-2-methoxycyclopropane
CID 70794067
1-(4,4-Difluoro-5-methylhexoxy)-2-ethoxycyclobutane
CID 70794096
1-(3-Ethoxybutan-2-yloxy)-4,4-difluoro-5-methylhexane
CID 88975412
1,1,1,2,2,3,3,4,4-Nonafluoro-6-[2-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]butoxy]hexane
CID 89088452
4,4-Difluoro-5-methyl-1-propan-2-yloxyhexane
CID 89929508
2,2-Difluoro-5-methyl-1-propan-2-yloxyhexane
CID 89929510

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhexane?
The IUPAC name of 4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhexane (CID 88972551) is 4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhexane.
What is the SMILES notation for 4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhexane?
The canonical SMILES for 4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhexane is CC(C)C(F)(F)CCCOC(C)(C)COC(C)(C)C.
What is the InChIKey of 4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhexane?
The InChIKey is GHCFKGPYLICXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F2O2/c1-12(2)15(16,17)9-8-10-18-14(6,7)11-19-13(3,4)5/h12H,8-11H2,1-7H3.
What are the key properties of 4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhexane?
4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhexane has a molecular weight of 280.40 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhexane is sourced from PubChem (CID 88972551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).