2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluorooxecane

C9HF17O — CID 75360843

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluorooxecane
SMILESFC1OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9HF17O/c10-1-2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)27-1/h1H
InChIKeyJWHDCBFZRQLWTF-UHFFFAOYSA-N
MW448.07 g/mol
LogP5.35
Rot. Bonds

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluorooxecane

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluorooxecane (PubChem CID 75360843) has the molecular formula C9HF17O and a molecular weight of 448.07 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluorooxecane.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluorooxecane
PubChem CID75360843
Molecular FormulaC9HF17O
Molecular Weight448.07 g/mol
Exact Mass447.98
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluorooxecane
SMILESFC1OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9HF17O/c10-1-2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)27-1/h1H
InChIKeyJWHDCBFZRQLWTF-UHFFFAOYSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.07
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluorooxecane with MolForge

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Related Compounds

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1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-4a,8a-dihydronaphthalene
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2,2,3,3,4,5,5,6,6-nonafluorooxane
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(4R)-1,1,2,2,3,3,4,5-octafluorocyclopentane
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1,1,2,2,3,3,4,5-octafluorocyclopentane
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1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-4a,8a,9a,10a-tetrahydroanthracene
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(2,3,3,4,4,5,5,6,6-nonafluorooxan-2-yl)silane
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1,1,2,2,3,3,4,5,5,6-decafluorocyclohexane
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2,2,3,3,4,4-hexafluoro-6-oxabicyclo[3.1.0]hexane
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1,1,2,2,3,3-hexafluorocyclobutane;1,1,2,2,3,3,4,4,5-nonafluorocyclopentane
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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluorooxecane?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluorooxecane (CID 75360843) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluorooxecane.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluorooxecane?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluorooxecane is FC1OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluorooxecane?
The InChIKey is JWHDCBFZRQLWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9HF17O/c10-1-2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)27-1/h1H.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluorooxecane?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluorooxecane has a molecular weight of 448.07 g/mol, XLogP of 5.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluorooxecane is sourced from PubChem (CID 75360843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).