3-(azidomethyl)-5-fluoro-3,5-dimethylheptane

C10H20FN3 — CID 126590550

IUPAC3-(azidomethyl)-5-fluoro-3,5-dimethylheptane
SMILESCCC(C)(F)CC(C)(CC)CN=[N+]=[N-]
InChIInChI=1S/C10H20FN3/c1-5-9(3,8-13-14-12)7-10(4,11)6-2/h5-8H2,1-4H3
InChIKeyYJMFLDNMUDIGRN-UHFFFAOYSA-N
MW201.29 g/mol
LogP4.24
Rot. Bonds6

About 3-(azidomethyl)-5-fluoro-3,5-dimethylheptane

3-(azidomethyl)-5-fluoro-3,5-dimethylheptane (PubChem CID 126590550) has the molecular formula C10H20FN3 and a molecular weight of 201.29 g/mol. Its IUPAC name is 3-(azidomethyl)-5-fluoro-3,5-dimethylheptane.

Molecular Properties

Compound Name3-(azidomethyl)-5-fluoro-3,5-dimethylheptane
PubChem CID126590550
Molecular FormulaC10H20FN3
Molecular Weight201.29 g/mol
Exact Mass201.16
IUPAC Name3-(azidomethyl)-5-fluoro-3,5-dimethylheptane
SMILESCCC(C)(F)CC(C)(CC)CN=[N+]=[N-]
InChIInChI=1S/C10H20FN3/c1-5-9(3,8-13-14-12)7-10(4,11)6-2/h5-8H2,1-4H3
InChIKeyYJMFLDNMUDIGRN-UHFFFAOYSA-N
XLogP4.24
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(azidomethyl)-5-fluoro-3,5-dimethylheptane?
The IUPAC name of 3-(azidomethyl)-5-fluoro-3,5-dimethylheptane (CID 126590550) is 3-(azidomethyl)-5-fluoro-3,5-dimethylheptane.
What is the SMILES notation for 3-(azidomethyl)-5-fluoro-3,5-dimethylheptane?
The canonical SMILES for 3-(azidomethyl)-5-fluoro-3,5-dimethylheptane is CCC(C)(F)CC(C)(CC)CN=[N+]=[N-].
What is the InChIKey of 3-(azidomethyl)-5-fluoro-3,5-dimethylheptane?
The InChIKey is YJMFLDNMUDIGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN3/c1-5-9(3,8-13-14-12)7-10(4,11)6-2/h5-8H2,1-4H3.
What are the key properties of 3-(azidomethyl)-5-fluoro-3,5-dimethylheptane?
3-(azidomethyl)-5-fluoro-3,5-dimethylheptane has a molecular weight of 201.29 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)-5-fluoro-3,5-dimethylheptane is sourced from PubChem (CID 126590550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).