1,1,1,2,3,3,4,4,5,6,6-undecafluoro-2-methylhexane

C7H5F11 — CID 91394956

IUPAC1,1,1,2,3,3,4,4,5,6,6-undecafluoro-2-methylhexane
SMILESCC(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)C(F)F
InChIInChI=1S/C7H5F11/c1-4(11,7(16,17)18)6(14,15)5(12,13)2(8)3(9)10/h2-3H,1H3
InChIKeyOSTQVVGHFGGTSG-UHFFFAOYSA-N
MW298.10 g/mol
LogP4.15
Rot. Bonds4

About 1,1,1,2,3,3,4,4,5,6,6-undecafluoro-2-methylhexane

1,1,1,2,3,3,4,4,5,6,6-undecafluoro-2-methylhexane (PubChem CID 91394956) has the molecular formula C7H5F11 and a molecular weight of 298.10 g/mol. Its IUPAC name is 1,1,1,2,3,3,4,4,5,6,6-undecafluoro-2-methylhexane.

Molecular Properties

Compound Name1,1,1,2,3,3,4,4,5,6,6-undecafluoro-2-methylhexane
PubChem CID91394956
Molecular FormulaC7H5F11
Molecular Weight298.10 g/mol
Exact Mass298.02
IUPAC Name1,1,1,2,3,3,4,4,5,6,6-undecafluoro-2-methylhexane
SMILESCC(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)C(F)F
InChIInChI=1S/C7H5F11/c1-4(11,7(16,17)18)6(14,15)5(12,13)2(8)3(9)10/h2-3H,1H3
InChIKeyOSTQVVGHFGGTSG-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,1,2,3,3,4,4,5,6,6-undecafluoro-2-methylhexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-1,1,1,3,4,4-hexafluoro-2-methylbutane
CID 19781251
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-icosafluoro-N,9-dimethyldecan-1-amine
CID 87786735
1,1,2,2,3,4,4-heptafluoro-1-iodobutane
CID 19937939
1,1,1,2-tetrafluoro-2,3,3-trimethylbutane
CID 88943040
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-tricosafluorododecane-1-sulfonyl fluoride
CID 89466589
1,1,1,2,2,3-hexafluoro-3,4,4-trimethylpentane
CID 22568684
lithium 1,2,2,3,3,4,4,5,5,6,6,7,8,8-tetradecafluorooctane-1-sulfonate
CID 134206668
2,2,3,3,4,4,5,5,6,7,7-undecafluoroheptyl propanoate
CID 163999014
trimethyl(1,2,2,3,3,4,4,4-octafluorobutyl)phosphanium chloride
CID 87697367
3,4-dichloro-1,1,1,2,2,3,4,5,6,6-decafluorohexane
CID 18916016
1,1,1,2,2,3,3,4,4,5,5,6,7,8,8,8-hexadecafluorooctane
CID 21256020
2,2-difluoropropane-1,1-diamine;hydrochloride
CID 87958689

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,4,4,5,6,6-undecafluoro-2-methylhexane?
The IUPAC name of 1,1,1,2,3,3,4,4,5,6,6-undecafluoro-2-methylhexane (CID 91394956) is 1,1,1,2,3,3,4,4,5,6,6-undecafluoro-2-methylhexane.
What is the SMILES notation for 1,1,1,2,3,3,4,4,5,6,6-undecafluoro-2-methylhexane?
The canonical SMILES for 1,1,1,2,3,3,4,4,5,6,6-undecafluoro-2-methylhexane is CC(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)C(F)F.
What is the InChIKey of 1,1,1,2,3,3,4,4,5,6,6-undecafluoro-2-methylhexane?
The InChIKey is OSTQVVGHFGGTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F11/c1-4(11,7(16,17)18)6(14,15)5(12,13)2(8)3(9)10/h2-3H,1H3.
What are the key properties of 1,1,1,2,3,3,4,4,5,6,6-undecafluoro-2-methylhexane?
1,1,1,2,3,3,4,4,5,6,6-undecafluoro-2-methylhexane has a molecular weight of 298.10 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,4,4,5,6,6-undecafluoro-2-methylhexane is sourced from PubChem (CID 91394956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).