1,1,1,2,2,3,5,5,5-nonafluoro-3-methoxy-4-(trifluoromethyl)pentane

C7H4F12O — CID 12656408

IUPAC1,1,1,2,2,3,5,5,5-nonafluoro-3-methoxy-4-(trifluoromethyl)pentane
SMILESCOC(F)(C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H4F12O/c1-20-3(8,6(15,16)7(17,18)19)2(4(9,10)11)5(12,13)14/h2H,1H3
InChIKeySXQIIRWODJBLOR-UHFFFAOYSA-N
MW332.08 g/mol
LogP4.24
Rot. Bonds3

About 1,1,1,2,2,3,5,5,5-nonafluoro-3-methoxy-4-(trifluoromethyl)pentane

1,1,1,2,2,3,5,5,5-nonafluoro-3-methoxy-4-(trifluoromethyl)pentane (PubChem CID 12656408) has the molecular formula C7H4F12O and a molecular weight of 332.08 g/mol. Its IUPAC name is 1,1,1,2,2,3,5,5,5-nonafluoro-3-methoxy-4-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1,2,2,3,5,5,5-nonafluoro-3-methoxy-4-(trifluoromethyl)pentane
PubChem CID12656408
Molecular FormulaC7H4F12O
Molecular Weight332.08 g/mol
Exact Mass332.01
IUPAC Name1,1,1,2,2,3,5,5,5-nonafluoro-3-methoxy-4-(trifluoromethyl)pentane
SMILESCOC(F)(C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H4F12O/c1-20-3(8,6(15,16)7(17,18)19)2(4(9,10)11)5(12,13)14/h2H,1H3
InChIKeySXQIIRWODJBLOR-UHFFFAOYSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.08
LogP ≤ 54.24
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

3-Methoxyperfluoro(2-methylpentane)
CID 14689855
1,1,1,2,2,3,4,5,5,5-Decafluoro-3-methoxy-4-methylpentane
CID 18798723
1,1,1,2,3,4,5,5,5-Nonafluoro-2,4-dimethyl-3-(2-methylpropoxy)pentane
CID 19761939
1,1,1,2,2,3,4,5,5,5-Decafluoro-4-methyl-3-(2-methylpropoxy)pentane
CID 19761952
1,1,1,2,3,3,4,5,5,5-Decafluoro-2-methoxy-4-methylpentane
CID 20085051
1,1,1,2,3,4,5,5,5-Nonafluoro-3-(fluoromethoxy)-2-(trifluoromethyl)pentane
CID 58114497
3-(2,2-Difluoropropoxy)-1,1,1,2,3,4,5,5,5-nonafluoro-2-(trifluoromethyl)pentane
CID 58114556
3-Ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2-(trifluoromethyl)pentane
CID 58114565
1,1,1,2-Tetrafluoro-3-methoxy-2-methylpentane
CID 58165689
1,1,1,3,4-Pentafluoro-3-(fluoromethoxy)-2-(fluoromethyl)pentane
CID 59203904
1,1,1-Trifluoro-2-methoxy-2-(trifluoromethyl)pentane
CID 59734874
1,1,1,2,3-Pentafluoro-3-(fluoromethoxy)-2-(fluoromethyl)pentane
CID 60055098

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,5,5,5-nonafluoro-3-methoxy-4-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1,2,2,3,5,5,5-nonafluoro-3-methoxy-4-(trifluoromethyl)pentane (CID 12656408) is 1,1,1,2,2,3,5,5,5-nonafluoro-3-methoxy-4-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1,2,2,3,5,5,5-nonafluoro-3-methoxy-4-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1,2,2,3,5,5,5-nonafluoro-3-methoxy-4-(trifluoromethyl)pentane is COC(F)(C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,5,5,5-nonafluoro-3-methoxy-4-(trifluoromethyl)pentane?
The InChIKey is SXQIIRWODJBLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F12O/c1-20-3(8,6(15,16)7(17,18)19)2(4(9,10)11)5(12,13)14/h2H,1H3.
What are the key properties of 1,1,1,2,2,3,5,5,5-nonafluoro-3-methoxy-4-(trifluoromethyl)pentane?
1,1,1,2,2,3,5,5,5-nonafluoro-3-methoxy-4-(trifluoromethyl)pentane has a molecular weight of 332.08 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,5,5,5-nonafluoro-3-methoxy-4-(trifluoromethyl)pentane is sourced from PubChem (CID 12656408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).