1,1,1,2-tetrafluoro-2-methyl-6-(trifluoromethyl)undecane

C13H21F7 — CID 58419046

IUPAC1,1,1,2-tetrafluoro-2-methyl-6-(trifluoromethyl)undecane
SMILESCCCCCC(CCCC(C)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H21F7/c1-3-4-5-7-10(12(15,16)17)8-6-9-11(2,14)13(18,19)20/h10H,3-9H2,1-2H3
InChIKeyBFDPHMTYRDVGFR-UHFFFAOYSA-N
MW310.30 g/mol
LogP6.21
Rot. Bonds8

About 1,1,1,2-tetrafluoro-2-methyl-6-(trifluoromethyl)undecane

1,1,1,2-tetrafluoro-2-methyl-6-(trifluoromethyl)undecane (PubChem CID 58419046) has the molecular formula C13H21F7 and a molecular weight of 310.30 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoro-2-methyl-6-(trifluoromethyl)undecane.

Molecular Properties

Compound Name1,1,1,2-tetrafluoro-2-methyl-6-(trifluoromethyl)undecane
PubChem CID58419046
Molecular FormulaC13H21F7
Molecular Weight310.30 g/mol
Exact Mass310.15
IUPAC Name1,1,1,2-tetrafluoro-2-methyl-6-(trifluoromethyl)undecane
SMILESCCCCCC(CCCC(C)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H21F7/c1-3-4-5-7-10(12(15,16)17)8-6-9-11(2,14)13(18,19)20/h10H,3-9H2,1-2H3
InChIKeyBFDPHMTYRDVGFR-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.30
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-(trifluoromethyl)decane;yttrium(3+)
CID 20801388
(2R)-1,1,1-trifluoro-2-(iodomethyl)heptane
CID 89053910
7-(1,1,1-trifluoro-2-methylpropan-2-yl)pentadecane
CID 172743472
6-methoxy-11-(trifluoromethyl)octadecane
CID 152576164
4-(trifluoromethyl)decanoic acid
CID 88597361
1,1,1-trifluoro-2-(trifluoromethyl)undecane
CID 150236240
1,1,1-trifluoro-2-(trifluoromethyl)octane
CID 87708107
6,7,7,7-tetrafluoro-6-methyl-4-(trifluoromethyl)heptan-1-ol
CID 59689373
6-(4,4-difluorobutyl)-5,5-dimethylundecane
CID 88795161
4-hexyl-3-(trifluoromethyl)decan-3-ol
CID 155261685
6-tert-butylundecane
CID 90714582
6-fluoro-2,6-dimethylundecane
CID 155274662

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluoro-2-methyl-6-(trifluoromethyl)undecane?
The IUPAC name of 1,1,1,2-tetrafluoro-2-methyl-6-(trifluoromethyl)undecane (CID 58419046) is 1,1,1,2-tetrafluoro-2-methyl-6-(trifluoromethyl)undecane.
What is the SMILES notation for 1,1,1,2-tetrafluoro-2-methyl-6-(trifluoromethyl)undecane?
The canonical SMILES for 1,1,1,2-tetrafluoro-2-methyl-6-(trifluoromethyl)undecane is CCCCCC(CCCC(C)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrafluoro-2-methyl-6-(trifluoromethyl)undecane?
The InChIKey is BFDPHMTYRDVGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F7/c1-3-4-5-7-10(12(15,16)17)8-6-9-11(2,14)13(18,19)20/h10H,3-9H2,1-2H3.
What are the key properties of 1,1,1,2-tetrafluoro-2-methyl-6-(trifluoromethyl)undecane?
1,1,1,2-tetrafluoro-2-methyl-6-(trifluoromethyl)undecane has a molecular weight of 310.30 g/mol, XLogP of 6.21, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluoro-2-methyl-6-(trifluoromethyl)undecane is sourced from PubChem (CID 58419046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).