(5S,6R)-5-fluoro-6-iododecane

C10H20FI — CID 15584091

IUPAC(5S,6R)-5-fluoro-6-iododecane
SMILESCCCC[C@@H](I)[C@@H](F)CCCC
InChIInChI=1S/C10H20FI/c1-3-5-7-9(11)10(12)8-6-4-2/h9-10H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyAKBRNNALABDKBA-VHSXEESVSA-N
MW286.17 g/mol
LogP4.51
Rot. Bonds7

About (5S,6R)-5-fluoro-6-iododecane

(5S,6R)-5-fluoro-6-iododecane (PubChem CID 15584091) has the molecular formula C10H20FI and a molecular weight of 286.17 g/mol. Its IUPAC name is (5S,6R)-5-fluoro-6-iododecane.

Molecular Properties

Compound Name(5S,6R)-5-fluoro-6-iododecane
PubChem CID15584091
Molecular FormulaC10H20FI
Molecular Weight286.17 g/mol
Exact Mass286.06
IUPAC Name(5S,6R)-5-fluoro-6-iododecane
SMILESCCCC[C@@H](I)[C@@H](F)CCCC
InChIInChI=1S/C10H20FI/c1-3-5-7-9(11)10(12)8-6-4-2/h9-10H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyAKBRNNALABDKBA-VHSXEESVSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-6-methyldecane
CID 123598559
4-fluoro-3-methyloctane
CID 89416555
1,1,1,2-tetrafluoro-4-iodo-3-methyl-2-(trifluoromethyl)octane
CID 150517923
(5S,6R)-5-chloro-6-iododecane
CID 15584088
5-fluorononane
CID 14113820
1,1-dichloropentane;gallane
CID 174452216
1,3-difluoro-2-methyloctane
CID 134441598
2,3-diiododecane
CID 14475432
(4S)-4-iodooctane
CID 97300695
1-fluoro-1-iodo-3-methylheptane;methanamine
CID 144585929
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(3-iodododecan-2-yl)cyclohexane
CID 153324130
(2R,3S,4R)-2,3,4-trifluorononane
CID 102212838

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5-fluoro-6-iododecane?
The IUPAC name of (5S,6R)-5-fluoro-6-iododecane (CID 15584091) is (5S,6R)-5-fluoro-6-iododecane.
What is the SMILES notation for (5S,6R)-5-fluoro-6-iododecane?
The canonical SMILES for (5S,6R)-5-fluoro-6-iododecane is CCCC[C@@H](I)[C@@H](F)CCCC.
What is the InChIKey of (5S,6R)-5-fluoro-6-iododecane?
The InChIKey is AKBRNNALABDKBA-VHSXEESVSA-N. The full InChI is InChI=1S/C10H20FI/c1-3-5-7-9(11)10(12)8-6-4-2/h9-10H,3-8H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of (5S,6R)-5-fluoro-6-iododecane?
(5S,6R)-5-fluoro-6-iododecane has a molecular weight of 286.17 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5-fluoro-6-iododecane is sourced from PubChem (CID 15584091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).