4-fluoro-3-methyloctane

C9H19F — CID 89416555

IUPAC4-fluoro-3-methyloctane
SMILESCCCCC(F)C(C)CC
InChIInChI=1S/C9H19F/c1-4-6-7-9(10)8(3)5-2/h8-9H,4-7H2,1-3H3
InChIKeyLEGNPJXNYBYWEH-UHFFFAOYSA-N
MW146.25 g/mol
LogP3.56
Rot. Bonds5

About 4-fluoro-3-methyloctane

4-fluoro-3-methyloctane (PubChem CID 89416555) has the molecular formula C9H19F and a molecular weight of 146.25 g/mol. Its IUPAC name is 4-fluoro-3-methyloctane.

Molecular Properties

Compound Name4-fluoro-3-methyloctane
PubChem CID89416555
Molecular FormulaC9H19F
Molecular Weight146.25 g/mol
Exact Mass146.15
IUPAC Name4-fluoro-3-methyloctane
SMILESCCCCC(F)C(C)CC
InChIInChI=1S/C9H19F/c1-4-6-7-9(10)8(3)5-2/h8-9H,4-7H2,1-3H3
InChIKeyLEGNPJXNYBYWEH-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
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

5-fluoro-6-methyldecane
CID 123598559
(2S,3R)-2-fluoro-3-methylheptan-1-ol
CID 130653054
1,3-difluoro-2-methyloctane
CID 134441598
3,4-dimethyloctane;ethane;ethene;propane
CID 142827223
5,6,14,15-tetramethylnonadecane
CID 123473711
3-fluoro-4-methylhexan-1-ol
CID 59089278
(3R)-2,3-dimethylheptane;ethane
CID 163241846
alumane;2,3-dimethylheptane
CID 174508099
2,3-dimethylheptane;ethane
CID 156648444
(2S,3R)-2-fluoro-3-methylheptanal
CID 130628488
3,4-dimethyldecane;ethane
CID 170980289
(5S,6R)-5-fluoro-6-iododecane
CID 15584091

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyloctane?
The IUPAC name of 4-fluoro-3-methyloctane (CID 89416555) is 4-fluoro-3-methyloctane.
What is the SMILES notation for 4-fluoro-3-methyloctane?
The canonical SMILES for 4-fluoro-3-methyloctane is CCCCC(F)C(C)CC.
What is the InChIKey of 4-fluoro-3-methyloctane?
The InChIKey is LEGNPJXNYBYWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F/c1-4-6-7-9(10)8(3)5-2/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-fluoro-3-methyloctane?
4-fluoro-3-methyloctane has a molecular weight of 146.25 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyloctane is sourced from PubChem (CID 89416555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).