2-fluoro-2,4,4-trimethylhexane

C9H19F — CID 155702638

IUPAC2-fluoro-2,4,4-trimethylhexane
SMILESCCC(C)(C)CC(C)(C)F
InChIInChI=1S/C9H19F/c1-6-8(2,3)7-9(4,5)10/h6-7H2,1-5H3
InChIKeyQHVKRYTVSJBBPG-UHFFFAOYSA-N
MW146.25 g/mol
LogP3.56
Rot. Bonds3

About 2-fluoro-2,4,4-trimethylhexane

2-fluoro-2,4,4-trimethylhexane (PubChem CID 155702638) has the molecular formula C9H19F and a molecular weight of 146.25 g/mol. Its IUPAC name is 2-fluoro-2,4,4-trimethylhexane.

Molecular Properties

Compound Name2-fluoro-2,4,4-trimethylhexane
PubChem CID155702638
Molecular FormulaC9H19F
Molecular Weight146.25 g/mol
Exact Mass146.15
IUPAC Name2-fluoro-2,4,4-trimethylhexane
SMILESCCC(C)(C)CC(C)(C)F
InChIInChI=1S/C9H19F/c1-6-8(2,3)7-9(4,5)10/h6-7H2,1-5H3
InChIKeyQHVKRYTVSJBBPG-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,1-trifluoro-3,3-dimethylpentane
CID 21014884
3-fluoro-2,3,5,5-tetramethylheptane
CID 89233452
ethane;2-fluoro-2-methylbutane
CID 143329956
3-fluoro-2,5,5-trimethyl-3-(trifluoromethyl)heptane
CID 121371775
2-chloro-2,4,4-trimethylhexane
CID 58017854
6-deuterio-2-fluoro-2,4,4-trimethyloctane;tungsten
CID 59700370
3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076
3,3-dimethylpentane;propane
CID 90942978
ethane;2,4,4-trimethylhexan-2-amine
CID 143206912
3-bromo-3,5,5-trimethylheptane
CID 122683982

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2,4,4-trimethylhexane?
The IUPAC name of 2-fluoro-2,4,4-trimethylhexane (CID 155702638) is 2-fluoro-2,4,4-trimethylhexane.
What is the SMILES notation for 2-fluoro-2,4,4-trimethylhexane?
The canonical SMILES for 2-fluoro-2,4,4-trimethylhexane is CCC(C)(C)CC(C)(C)F.
What is the InChIKey of 2-fluoro-2,4,4-trimethylhexane?
The InChIKey is QHVKRYTVSJBBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F/c1-6-8(2,3)7-9(4,5)10/h6-7H2,1-5H3.
What are the key properties of 2-fluoro-2,4,4-trimethylhexane?
2-fluoro-2,4,4-trimethylhexane has a molecular weight of 146.25 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2,4,4-trimethylhexane is sourced from PubChem (CID 155702638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).