1-fluoro-2,4-dimethylhexane

C8H17F — CID 123953899

IUPAC1-fluoro-2,4-dimethylhexane
SMILESCCC(C)CC(C)CF
InChIInChI=1S/C8H17F/c1-4-7(2)5-8(3)6-9/h7-8H,4-6H2,1-3H3
InChIKeyAIBXHMLRCJNUDB-UHFFFAOYSA-N
MW132.22 g/mol
LogP3.03
Rot. Bonds4

About 1-fluoro-2,4-dimethylhexane

1-fluoro-2,4-dimethylhexane (PubChem CID 123953899) has the molecular formula C8H17F and a molecular weight of 132.22 g/mol. Its IUPAC name is 1-fluoro-2,4-dimethylhexane.

Molecular Properties

Compound Name1-fluoro-2,4-dimethylhexane
PubChem CID123953899
Molecular FormulaC8H17F
Molecular Weight132.22 g/mol
Exact Mass132.13
IUPAC Name1-fluoro-2,4-dimethylhexane
SMILESCCC(C)CC(C)CF
InChIInChI=1S/C8H17F/c1-4-7(2)5-8(3)6-9/h7-8H,4-6H2,1-3H3
InChIKeyAIBXHMLRCJNUDB-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.22
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,5-dimethylheptane;ethane
CID 172617343
3,5,7,10,12-pentamethyltetradecane
CID 59582352
2,4,6,8-tetramethyldecane
CID 54224604
3,5-dimethylheptane;ethane;methanol;propane
CID 176685880
(4S)-2,4-dimethylhexane
CID 22810193
(4S)-1,1,1-trifluoro-4,6-dimethyl-2-(trifluoromethyl)octane
CID 162565370
(5S)-3-ethyl-5-methylheptane
CID 59094044
2,4-dimethylhexane;propane
CID 143348383
(4R)-2,4-dimethylhexane;methane
CID 157133469
3,5-dimethylheptane;3,4-dimethylhexane;3,6-dimethyloctane
CID 161182355
2,4,7,9-tetramethylundecane
CID 91346710
3,5,7,9,11,13,15-heptamethyloctadecane
CID 20645188

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,4-dimethylhexane?
The IUPAC name of 1-fluoro-2,4-dimethylhexane (CID 123953899) is 1-fluoro-2,4-dimethylhexane.
What is the SMILES notation for 1-fluoro-2,4-dimethylhexane?
The canonical SMILES for 1-fluoro-2,4-dimethylhexane is CCC(C)CC(C)CF.
What is the InChIKey of 1-fluoro-2,4-dimethylhexane?
The InChIKey is AIBXHMLRCJNUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F/c1-4-7(2)5-8(3)6-9/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-fluoro-2,4-dimethylhexane?
1-fluoro-2,4-dimethylhexane has a molecular weight of 132.22 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,4-dimethylhexane is sourced from PubChem (CID 123953899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).