3-fluoro-5-(methoxymethyl)-5-methylnonane

C12H25FO — CID 170189249

IUPAC3-fluoro-5-(methoxymethyl)-5-methylnonane
SMILESCCCCC(C)(COC)CC(F)CC
InChIInChI=1S/C12H25FO/c1-5-7-8-12(3,10-14-4)9-11(13)6-2/h11H,5-10H2,1-4H3
InChIKeyKOLGBHGRLGKQDA-UHFFFAOYSA-N
MW204.33 g/mol
LogP3.97
Rot. Bonds8

About 3-fluoro-5-(methoxymethyl)-5-methylnonane

3-fluoro-5-(methoxymethyl)-5-methylnonane (PubChem CID 170189249) has the molecular formula C12H25FO and a molecular weight of 204.33 g/mol. Its IUPAC name is 3-fluoro-5-(methoxymethyl)-5-methylnonane.

Molecular Properties

Compound Name3-fluoro-5-(methoxymethyl)-5-methylnonane
PubChem CID170189249
Molecular FormulaC12H25FO
Molecular Weight204.33 g/mol
Exact Mass204.19
IUPAC Name3-fluoro-5-(methoxymethyl)-5-methylnonane
SMILESCCCCC(C)(COC)CC(F)CC
InChIInChI=1S/C12H25FO/c1-5-7-8-12(3,10-14-4)9-11(13)6-2/h11H,5-10H2,1-4H3
InChIKeyKOLGBHGRLGKQDA-UHFFFAOYSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(methoxymethyl)-5-methylnonane?
The IUPAC name of 3-fluoro-5-(methoxymethyl)-5-methylnonane (CID 170189249) is 3-fluoro-5-(methoxymethyl)-5-methylnonane.
What is the SMILES notation for 3-fluoro-5-(methoxymethyl)-5-methylnonane?
The canonical SMILES for 3-fluoro-5-(methoxymethyl)-5-methylnonane is CCCCC(C)(COC)CC(F)CC.
What is the InChIKey of 3-fluoro-5-(methoxymethyl)-5-methylnonane?
The InChIKey is KOLGBHGRLGKQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FO/c1-5-7-8-12(3,10-14-4)9-11(13)6-2/h11H,5-10H2,1-4H3.
What are the key properties of 3-fluoro-5-(methoxymethyl)-5-methylnonane?
3-fluoro-5-(methoxymethyl)-5-methylnonane has a molecular weight of 204.33 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(methoxymethyl)-5-methylnonane is sourced from PubChem (CID 170189249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).