ethane;1,1,1,3,3,4,4-heptafluoro-2-methoxy-2-(trifluoromethyl)pentane

C9H12F10O — CID 156806365

IUPACethane;1,1,1,3,3,4,4-heptafluoro-2-methoxy-2-(trifluoromethyl)pentane
SMILESCC.COC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(C)(F)F
InChIInChI=1S/C7H6F10O.C2H6/c1-3(8,9)5(10,11)4(18-2,6(12,13)14)7(15,16)17;1-2/h1-2H3;1-2H3
InChIKeyVHSZVQHPABZBKQ-UHFFFAOYSA-N
MW326.17 g/mol
LogP4.81
Rot. Bonds3

About ethane;1,1,1,3,3,4,4-heptafluoro-2-methoxy-2-(trifluoromethyl)pentane

ethane;1,1,1,3,3,4,4-heptafluoro-2-methoxy-2-(trifluoromethyl)pentane (PubChem CID 156806365) has the molecular formula C9H12F10O and a molecular weight of 326.17 g/mol. Its IUPAC name is ethane;1,1,1,3,3,4,4-heptafluoro-2-methoxy-2-(trifluoromethyl)pentane.

Molecular Properties

Compound Nameethane;1,1,1,3,3,4,4-heptafluoro-2-methoxy-2-(trifluoromethyl)pentane
PubChem CID156806365
Molecular FormulaC9H12F10O
Molecular Weight326.17 g/mol
Exact Mass326.07
IUPAC Nameethane;1,1,1,3,3,4,4-heptafluoro-2-methoxy-2-(trifluoromethyl)pentane
SMILESCC.COC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(C)(F)F
InChIInChI=1S/C7H6F10O.C2H6/c1-3(8,9)5(10,11)4(18-2,6(12,13)14)7(15,16)17;1-2/h1-2H3;1-2H3
InChIKeyVHSZVQHPABZBKQ-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Hexafluorisopropylmethylather
CID 129635123
1-Fluoro-2-methyl-2-(2,2,2-trifluoroethoxy)pentane
CID 10584237
2-Butoxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane
CID 12713814
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-propoxy-4-(trifluoromethyl)pentane
CID 15006619
1,1,1,2,2,3,4,5,5,5-Decafluoro-3-methoxy-4-methylpentane
CID 18798723
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-methyl-4-propan-2-yloxypentane
CID 19761914
2-Butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-methylpentane
CID 19761916
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-methyl-4-(2-methylpropoxy)pentane
CID 19761932
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-methyl-4-(3-methylbutoxy)pentane
CID 19761941
1,1,1,2,2,3,4,5,5-Nonafluoro-3,5-dimethoxy-4-methylpentane
CID 19761955
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-propan-2-yloxy-4-(trifluoromethyl)pentane
CID 19761957
3-Ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane
CID 19761961

Frequently Asked Questions

What is the IUPAC name of ethane;1,1,1,3,3,4,4-heptafluoro-2-methoxy-2-(trifluoromethyl)pentane?
The IUPAC name of ethane;1,1,1,3,3,4,4-heptafluoro-2-methoxy-2-(trifluoromethyl)pentane (CID 156806365) is ethane;1,1,1,3,3,4,4-heptafluoro-2-methoxy-2-(trifluoromethyl)pentane.
What is the SMILES notation for ethane;1,1,1,3,3,4,4-heptafluoro-2-methoxy-2-(trifluoromethyl)pentane?
The canonical SMILES for ethane;1,1,1,3,3,4,4-heptafluoro-2-methoxy-2-(trifluoromethyl)pentane is CC.COC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(C)(F)F.
What is the InChIKey of ethane;1,1,1,3,3,4,4-heptafluoro-2-methoxy-2-(trifluoromethyl)pentane?
The InChIKey is VHSZVQHPABZBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F10O.C2H6/c1-3(8,9)5(10,11)4(18-2,6(12,13)14)7(15,16)17;1-2/h1-2H3;1-2H3.
What are the key properties of ethane;1,1,1,3,3,4,4-heptafluoro-2-methoxy-2-(trifluoromethyl)pentane?
ethane;1,1,1,3,3,4,4-heptafluoro-2-methoxy-2-(trifluoromethyl)pentane has a molecular weight of 326.17 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,1,1,3,3,4,4-heptafluoro-2-methoxy-2-(trifluoromethyl)pentane is sourced from PubChem (CID 156806365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).