(2R)-2-(18F)fluoro-6-methylheptane

C8H17F — CID 153412043

IUPAC(2R)-2-(18F)fluoro-6-methylheptane
SMILESCC(C)CCC[C@@H](C)[18F]
InChIInChI=1S/C8H17F/c1-7(2)5-4-6-8(3)9/h7-8H,4-6H2,1-3H3/t8-/m1/s1/i9-1
InChIKeyWLOFIPTWVLLKKU-HTWMSXNGSA-N
MW131.22 g/mol
LogP3.17
Rot. Bonds4

About (2R)-2-(18F)fluoro-6-methylheptane

(2R)-2-(18F)fluoro-6-methylheptane (PubChem CID 153412043) has the molecular formula C8H17F and a molecular weight of 131.22 g/mol. Its IUPAC name is (2R)-2-(18F)fluoro-6-methylheptane.

Molecular Properties

Compound Name(2R)-2-(18F)fluoro-6-methylheptane
PubChem CID153412043
Molecular FormulaC8H17F
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name(2R)-2-(18F)fluoro-6-methylheptane
SMILESCC(C)CCC[C@@H](C)[18F]
InChIInChI=1S/C8H17F/c1-7(2)5-4-6-8(3)9/h7-8H,4-6H2,1-3H3/t8-/m1/s1/i9-1
InChIKeyWLOFIPTWVLLKKU-HTWMSXNGSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-fluoropentane-1-thiol
CID 87282782
17-fluoro-1-(4-methylpentoxy)octadecane
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1-fluoro-1-iodo-5-methylhexane
CID 141076544
4-fluoro-N-methylpentan-1-amine
CID 123463233
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
1,1-difluoro-N,6-dimethylheptan-2-amine
CID 103517025
1,6-difluoroheptane
CID 139983024
2-fluorohenicosane
CID 91354486
2,6-difluorooctadecane
CID 174393944
tris(2,7-dimethyloctane);ethane;methane
CID 159869544
6-fluoroheptan-1-amine
CID 83855129

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(18F)fluoro-6-methylheptane?
The IUPAC name of (2R)-2-(18F)fluoro-6-methylheptane (CID 153412043) is (2R)-2-(18F)fluoro-6-methylheptane.
What is the SMILES notation for (2R)-2-(18F)fluoro-6-methylheptane?
The canonical SMILES for (2R)-2-(18F)fluoro-6-methylheptane is CC(C)CCC[C@@H](C)[18F].
What is the InChIKey of (2R)-2-(18F)fluoro-6-methylheptane?
The InChIKey is WLOFIPTWVLLKKU-HTWMSXNGSA-N. The full InChI is InChI=1S/C8H17F/c1-7(2)5-4-6-8(3)9/h7-8H,4-6H2,1-3H3/t8-/m1/s1/i9-1.
What are the key properties of (2R)-2-(18F)fluoro-6-methylheptane?
(2R)-2-(18F)fluoro-6-methylheptane has a molecular weight of 131.22 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(18F)fluoro-6-methylheptane is sourced from PubChem (CID 153412043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).