1,1,1-trifluoro-2,10,10-trimethylundecane

C14H27F3 — CID 89223709

IUPAC1,1,1-trifluoro-2,10,10-trimethylundecane
SMILESCC(CCCCCCCC(C)(C)C)C(F)(F)F
InChIInChI=1S/C14H27F3/c1-12(14(15,16)17)10-8-6-5-7-9-11-13(2,3)4/h12H,5-11H2,1-4H3
InChIKeyNEHPWGLWYGPAPD-UHFFFAOYSA-N
MW252.36 g/mol
LogP5.96
Rot. Bonds7

About 1,1,1-trifluoro-2,10,10-trimethylundecane

1,1,1-trifluoro-2,10,10-trimethylundecane (PubChem CID 89223709) has the molecular formula C14H27F3 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1,1,1-trifluoro-2,10,10-trimethylundecane.

Molecular Properties

Compound Name1,1,1-trifluoro-2,10,10-trimethylundecane
PubChem CID89223709
Molecular FormulaC14H27F3
Molecular Weight252.36 g/mol
Exact Mass252.21
IUPAC Name1,1,1-trifluoro-2,10,10-trimethylundecane
SMILESCC(CCCCCCCC(C)(C)C)C(F)(F)F
InChIInChI=1S/C14H27F3/c1-12(14(15,16)17)10-8-6-5-7-9-11-13(2,3)4/h12H,5-11H2,1-4H3
InChIKeyNEHPWGLWYGPAPD-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.36
LogP ≤ 55.96
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

1,1,1,13,13,13-hexafluoro-2-methyltridecane
CID 155394639
1,1,1,7,7,7-hexafluoro-2-methylheptane
CID 175563823
2,2,3,8,8-pentamethylnonane
CID 57491849
1,1-difluoro-6,6-dimethylheptane
CID 162546967
2,2,7,13-tetramethyltetradecane
CID 164934007
2,2,13-trimethylpentadecane
CID 150334228
1,1,1-trifluoro-20,20-dimethylhenicosane
CID 152547440
methane;1,1,1-trifluoro-2-methylhexane
CID 161476124
7-chloro-2,2-dimethyloctane
CID 64515628
bis(2,2-dimethylbutane);2,3-dimethylbutane;3-methylpentane;1,1,1-trifluoroheptane;(2S)-1,1,1-trifluoro-2-methylhexane
CID 165037121
9,9-dimethyldecan-3-ol
CID 156689502
2,2,8,8-tetramethyl-3-propan-2-ylnonane
CID 174911208

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2,10,10-trimethylundecane?
The IUPAC name of 1,1,1-trifluoro-2,10,10-trimethylundecane (CID 89223709) is 1,1,1-trifluoro-2,10,10-trimethylundecane.
What is the SMILES notation for 1,1,1-trifluoro-2,10,10-trimethylundecane?
The canonical SMILES for 1,1,1-trifluoro-2,10,10-trimethylundecane is CC(CCCCCCCC(C)(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2,10,10-trimethylundecane?
The InChIKey is NEHPWGLWYGPAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3/c1-12(14(15,16)17)10-8-6-5-7-9-11-13(2,3)4/h12H,5-11H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-2,10,10-trimethylundecane?
1,1,1-trifluoro-2,10,10-trimethylundecane has a molecular weight of 252.36 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2,10,10-trimethylundecane is sourced from PubChem (CID 89223709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).