1,1,1,13,13,13-hexafluoro-2-methyltridecane

C14H24F6 — CID 155394639

IUPAC1,1,1,13,13,13-hexafluoro-2-methyltridecane
SMILESCC(CCCCCCCCCCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H24F6/c1-12(14(18,19)20)10-8-6-4-2-3-5-7-9-11-13(15,16)17/h12H,2-11H2,1H3
InChIKeyDJQLIQQCVXTHMY-UHFFFAOYSA-N
MW306.33 g/mol
LogP6.65
Rot. Bonds10

About 1,1,1,13,13,13-hexafluoro-2-methyltridecane

1,1,1,13,13,13-hexafluoro-2-methyltridecane (PubChem CID 155394639) has the molecular formula C14H24F6 and a molecular weight of 306.33 g/mol. Its IUPAC name is 1,1,1,13,13,13-hexafluoro-2-methyltridecane.

Molecular Properties

Compound Name1,1,1,13,13,13-hexafluoro-2-methyltridecane
PubChem CID155394639
Molecular FormulaC14H24F6
Molecular Weight306.33 g/mol
Exact Mass306.18
IUPAC Name1,1,1,13,13,13-hexafluoro-2-methyltridecane
SMILESCC(CCCCCCCCCCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H24F6/c1-12(14(18,19)20)10-8-6-4-2-3-5-7-9-11-13(15,16)17/h12H,2-11H2,1H3
InChIKeyDJQLIQQCVXTHMY-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.33
LogP ≤ 56.65
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

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1,1,1-triethoxy-10,10,10-trifluoro-2-methyldecane
CID 150443837
1,1,1,7,7,9,9,15,15,15-decafluoro-6,10-dimethylpentadecan-8-one
CID 175415315
bis(2,2-dimethylbutane);2,3-dimethylbutane;3-methylpentane;1,1,1-trifluoroheptane;(2S)-1,1,1-trifluoro-2-methylhexane
CID 165037121
1,1,1-trifluoro-6,7-dimethyloctane
CID 162600398
methane;1,1,1-trifluoro-2-methylhexane
CID 161476124
1,1,2,2,3,12,12,12-octafluorododecan-1-amine
CID 175157299
1,1,1,5,5,5-hexafluoro-2-methylpentane;methane;1,1,1-trifluoro-3-(trifluoromethyl)pentane
CID 159118137
1,1,1-trifluorohexadecane
CID 15685316
1,1,1-trifluoro-20,20-dimethylhenicosane
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1,1,1-trifluoro-4-methyldecane
CID 147899191

Frequently Asked Questions

What is the IUPAC name of 1,1,1,13,13,13-hexafluoro-2-methyltridecane?
The IUPAC name of 1,1,1,13,13,13-hexafluoro-2-methyltridecane (CID 155394639) is 1,1,1,13,13,13-hexafluoro-2-methyltridecane.
What is the SMILES notation for 1,1,1,13,13,13-hexafluoro-2-methyltridecane?
The canonical SMILES for 1,1,1,13,13,13-hexafluoro-2-methyltridecane is CC(CCCCCCCCCCC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,13,13,13-hexafluoro-2-methyltridecane?
The InChIKey is DJQLIQQCVXTHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F6/c1-12(14(18,19)20)10-8-6-4-2-3-5-7-9-11-13(15,16)17/h12H,2-11H2,1H3.
What are the key properties of 1,1,1,13,13,13-hexafluoro-2-methyltridecane?
1,1,1,13,13,13-hexafluoro-2-methyltridecane has a molecular weight of 306.33 g/mol, XLogP of 6.65, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,13,13,13-hexafluoro-2-methyltridecane is sourced from PubChem (CID 155394639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).