1,1,1,2,2,3,3,4,4-nonafluoro-5-(2,2,2-trifluoroethoxy)pentane

C7H4F12O — CID 19063481

IUPAC1,1,1,2,2,3,3,4,4-nonafluoro-5-(2,2,2-trifluoroethoxy)pentane
SMILESFC(F)(F)COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H4F12O/c8-3(9,1-20-2-4(10,11)12)5(13,14)6(15,16)7(17,18)19/h1-2H2
InChIKeyUBZBVUHGKHJDEE-UHFFFAOYSA-N
MW332.08 g/mol
LogP4.03
Rot. Bonds5

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

1,1,1,2,2,3,3,4,4-nonafluoro-5-(2,2,2-trifluoroethoxy)pentane (PubChem CID 19063481) has the molecular formula C7H4F12O and a molecular weight of 332.08 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4-nonafluoro-5-(2,2,2-trifluoroethoxy)pentane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4-nonafluoro-5-(2,2,2-trifluoroethoxy)pentane
PubChem CID19063481
Molecular FormulaC7H4F12O
Molecular Weight332.08 g/mol
Exact Mass332.01
IUPAC Name1,1,1,2,2,3,3,4,4-nonafluoro-5-(2,2,2-trifluoroethoxy)pentane
SMILESFC(F)(F)COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H4F12O/c8-3(9,1-20-2-4(10,11)12)5(13,14)6(15,16)7(17,18)19/h1-2H2
InChIKeyUBZBVUHGKHJDEE-UHFFFAOYSA-N
XLogP4.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.08
LogP ≤ 54.03
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

1,1,2,2-Tetrafluoro-3-(1,1,2,2-tetrafluoroethoxy)propane
CID 2776662
Ethoxynonafluorobutane
CID 206000
1,1,2,2,3,3,4,4-Octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane
CID 2782579
5-(Difluoromethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane
CID 22436579
1,1,1,2,2,3,3-Heptafluoro-4-(2,2,3,3,4,4,4-heptafluorobutoxy)butane
CID 22646028
1,1,1,2,2,3,3,4,4-Nonafluoro-4-propoxybutane
CID 22670037
1-Ethoxy-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane
CID 23432499
1,1,1,2,2,3,3-Heptafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane
CID 75360833
4-(1,1-Difluoroethoxy)-1,1,1,2,2,3,3-heptafluorobutane
CID 75360834
Bis(2,2,3,3-tetrafluoropropyl)ether
CID 12824699
3,3,4,4,5,5-Hexafluorotetrahydro-2H-pyran
CID 129806523
1H,1H,2'H,3H-Decafluorodipropyl ether
CID 2782285

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluoro-5-(2,2,2-trifluoroethoxy)pentane?
The IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluoro-5-(2,2,2-trifluoroethoxy)pentane (CID 19063481) is 1,1,1,2,2,3,3,4,4-nonafluoro-5-(2,2,2-trifluoroethoxy)pentane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4-nonafluoro-5-(2,2,2-trifluoroethoxy)pentane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4-nonafluoro-5-(2,2,2-trifluoroethoxy)pentane is FC(F)(F)COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4-nonafluoro-5-(2,2,2-trifluoroethoxy)pentane?
The InChIKey is UBZBVUHGKHJDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F12O/c8-3(9,1-20-2-4(10,11)12)5(13,14)6(15,16)7(17,18)19/h1-2H2.
What are the key properties of 1,1,1,2,2,3,3,4,4-nonafluoro-5-(2,2,2-trifluoroethoxy)pentane?
1,1,1,2,2,3,3,4,4-nonafluoro-5-(2,2,2-trifluoroethoxy)pentane has a molecular weight of 332.08 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4-nonafluoro-5-(2,2,2-trifluoroethoxy)pentane is sourced from PubChem (CID 19063481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).