1,1,1,3,3,4,4,5,5,7,7-undecafluorooctane

C8H7F11 — CID 59211713

IUPAC1,1,1,3,3,4,4,5,5,7,7-undecafluorooctane
SMILESCC(F)(F)CC(F)(F)C(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C8H7F11/c1-4(9,10)2-5(11,12)8(18,19)6(13,14)3-7(15,16)17/h2-3H2,1H3
InChIKeyVOCPZWFQPGQRJU-UHFFFAOYSA-N
MW312.12 g/mol
LogP4.89
Rot. Bonds5

About 1,1,1,3,3,4,4,5,5,7,7-undecafluorooctane

1,1,1,3,3,4,4,5,5,7,7-undecafluorooctane (PubChem CID 59211713) has the molecular formula C8H7F11 and a molecular weight of 312.12 g/mol. Its IUPAC name is 1,1,1,3,3,4,4,5,5,7,7-undecafluorooctane.

Molecular Properties

Compound Name1,1,1,3,3,4,4,5,5,7,7-undecafluorooctane
PubChem CID59211713
Molecular FormulaC8H7F11
Molecular Weight312.12 g/mol
Exact Mass312.04
IUPAC Name1,1,1,3,3,4,4,5,5,7,7-undecafluorooctane
SMILESCC(F)(F)CC(F)(F)C(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C8H7F11/c1-4(9,10)2-5(11,12)8(18,19)6(13,14)3-7(15,16)17/h2-3H2,1H3
InChIKeyVOCPZWFQPGQRJU-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.12
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4,5,5,7,7-dodecafluorooctane
CID 163290381
methane;1,1,1,2,3,3,5,5-octafluoro-2-methylhexane
CID 161475388
methane;2,2,3,3,4,5,5,7,7-nonafluoro-4-(trifluoromethyl)octane
CID 159474184
1,1,1-trideuterio-4,4-difluoro-2,2-bis(trideuteriomethyl)pentane
CID 122425054
1,4-bis(trifluoromethyl)benzene;1,1,1,3,3-pentafluorobutane
CID 174165148
triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)silane
CID 175108663
2-methyl-N,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)prop-2-enamide
CID 139789964
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-tricosafluoro-13,13-dimethyltetradecane
CID 167303631
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,12,12,12-tricosafluorododecane-1-sulfonyl fluoride
CID 89466590
2,2,3,3,4,4,5,5,6,6,8,8,8-tridecafluorooctanoic acid
CID 163324893
CID 158264253
CID 158264253
azane;1,1,1,3,3,3-hexafluoropropane
CID 175100137

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,4,4,5,5,7,7-undecafluorooctane?
The IUPAC name of 1,1,1,3,3,4,4,5,5,7,7-undecafluorooctane (CID 59211713) is 1,1,1,3,3,4,4,5,5,7,7-undecafluorooctane.
What is the SMILES notation for 1,1,1,3,3,4,4,5,5,7,7-undecafluorooctane?
The canonical SMILES for 1,1,1,3,3,4,4,5,5,7,7-undecafluorooctane is CC(F)(F)CC(F)(F)C(F)(F)C(F)(F)CC(F)(F)F.
What is the InChIKey of 1,1,1,3,3,4,4,5,5,7,7-undecafluorooctane?
The InChIKey is VOCPZWFQPGQRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F11/c1-4(9,10)2-5(11,12)8(18,19)6(13,14)3-7(15,16)17/h2-3H2,1H3.
What are the key properties of 1,1,1,3,3,4,4,5,5,7,7-undecafluorooctane?
1,1,1,3,3,4,4,5,5,7,7-undecafluorooctane has a molecular weight of 312.12 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,4,4,5,5,7,7-undecafluorooctane is sourced from PubChem (CID 59211713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).