1,2,2,5,5-pentafluoro-3,3,4,4,7,7-hexamethyloctane

C14H25F5 — CID 169196308

IUPAC1,2,2,5,5-pentafluoro-3,3,4,4,7,7-hexamethyloctane
SMILESCC(C)(C)CC(F)(F)C(C)(C)C(C)(C)C(F)(F)CF
InChIInChI=1S/C14H25F5/c1-10(2,3)8-13(16,17)11(4,5)12(6,7)14(18,19)9-15/h8-9H2,1-7H3
InChIKeyLJIGVZXJJRINKY-UHFFFAOYSA-N
MW288.34 g/mol
LogP5.72
Rot. Bonds5

About 1,2,2,5,5-pentafluoro-3,3,4,4,7,7-hexamethyloctane

1,2,2,5,5-pentafluoro-3,3,4,4,7,7-hexamethyloctane (PubChem CID 169196308) has the molecular formula C14H25F5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 1,2,2,5,5-pentafluoro-3,3,4,4,7,7-hexamethyloctane.

Molecular Properties

Compound Name1,2,2,5,5-pentafluoro-3,3,4,4,7,7-hexamethyloctane
PubChem CID169196308
Molecular FormulaC14H25F5
Molecular Weight288.34 g/mol
Exact Mass288.19
IUPAC Name1,2,2,5,5-pentafluoro-3,3,4,4,7,7-hexamethyloctane
SMILESCC(C)(C)CC(F)(F)C(C)(C)C(C)(C)C(F)(F)CF
InChIInChI=1S/C14H25F5/c1-10(2,3)8-13(16,17)11(4,5)12(6,7)14(18,19)9-15/h8-9H2,1-7H3
InChIKeyLJIGVZXJJRINKY-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.34
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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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
ethane;1,1,1,2,2,3-hexafluoropropane
CID 143490804
3,3,5,5,7,7,9,9-octafluoro-2,2,11,11-tetramethyldodecane
CID 171742432
1,1,1,2,2,3-hexafluoropropane;hydrate
CID 23202835
1,2-difluoro-2-iodopropane
CID 175825476
1,2,2,3-tetrafluoro-3-(1,1,2-trifluoroethoxy)butane
CID 91413545
1,1,1-trideuterio-4,4-difluoro-2,2-bis(trideuteriomethyl)pentane
CID 122425054
4,4-difluoro-2,2,7,7-tetramethyloctane
CID 169306156
1,1,1,2,2,3-hexafluoropropane;1,1,1,2-tetrafluoroethane
CID 22481284
2,2,4,4,6,6-hexamethylheptane
CID 2795065
CID 114986648
CID 114986648

Frequently Asked Questions

What is the IUPAC name of 1,2,2,5,5-pentafluoro-3,3,4,4,7,7-hexamethyloctane?
The IUPAC name of 1,2,2,5,5-pentafluoro-3,3,4,4,7,7-hexamethyloctane (CID 169196308) is 1,2,2,5,5-pentafluoro-3,3,4,4,7,7-hexamethyloctane.
What is the SMILES notation for 1,2,2,5,5-pentafluoro-3,3,4,4,7,7-hexamethyloctane?
The canonical SMILES for 1,2,2,5,5-pentafluoro-3,3,4,4,7,7-hexamethyloctane is CC(C)(C)CC(F)(F)C(C)(C)C(C)(C)C(F)(F)CF.
What is the InChIKey of 1,2,2,5,5-pentafluoro-3,3,4,4,7,7-hexamethyloctane?
The InChIKey is LJIGVZXJJRINKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F5/c1-10(2,3)8-13(16,17)11(4,5)12(6,7)14(18,19)9-15/h8-9H2,1-7H3.
What are the key properties of 1,2,2,5,5-pentafluoro-3,3,4,4,7,7-hexamethyloctane?
1,2,2,5,5-pentafluoro-3,3,4,4,7,7-hexamethyloctane has a molecular weight of 288.34 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,5,5-pentafluoro-3,3,4,4,7,7-hexamethyloctane is sourced from PubChem (CID 169196308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).