1,1,1-trifluoro-5-methoxy-4-(methoxymethyl)nonane

C12H23F3O2 — CID 87986465

IUPAC1,1,1-trifluoro-5-methoxy-4-(methoxymethyl)nonane
SMILESCCCCC(OC)C(CCC(F)(F)F)COC
InChIInChI=1S/C12H23F3O2/c1-4-5-6-11(17-3)10(9-16-2)7-8-12(13,14)15/h10-11H,4-9H2,1-3H3
InChIKeyJJPZQRJUHPZAPW-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.80
Rot. Bonds9

About 1,1,1-trifluoro-5-methoxy-4-(methoxymethyl)nonane

1,1,1-trifluoro-5-methoxy-4-(methoxymethyl)nonane (PubChem CID 87986465) has the molecular formula C12H23F3O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-methoxy-4-(methoxymethyl)nonane.

Molecular Properties

Compound Name1,1,1-trifluoro-5-methoxy-4-(methoxymethyl)nonane
PubChem CID87986465
Molecular FormulaC12H23F3O2
Molecular Weight256.31 g/mol
Exact Mass256.17
IUPAC Name1,1,1-trifluoro-5-methoxy-4-(methoxymethyl)nonane
SMILESCCCCC(OC)C(CCC(F)(F)F)COC
InChIInChI=1S/C12H23F3O2/c1-4-5-6-11(17-3)10(9-16-2)7-8-12(13,14)15/h10-11H,4-9H2,1-3H3
InChIKeyJJPZQRJUHPZAPW-UHFFFAOYSA-N
XLogP3.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2,2-Difluoro-7-methyl-1-propan-2-yloxyoctane
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2-(8,8-Difluorooctan-4-yl)-5-methyloxane
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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-methoxy-4-(methoxymethyl)nonane?
The IUPAC name of 1,1,1-trifluoro-5-methoxy-4-(methoxymethyl)nonane (CID 87986465) is 1,1,1-trifluoro-5-methoxy-4-(methoxymethyl)nonane.
What is the SMILES notation for 1,1,1-trifluoro-5-methoxy-4-(methoxymethyl)nonane?
The canonical SMILES for 1,1,1-trifluoro-5-methoxy-4-(methoxymethyl)nonane is CCCCC(OC)C(CCC(F)(F)F)COC.
What is the InChIKey of 1,1,1-trifluoro-5-methoxy-4-(methoxymethyl)nonane?
The InChIKey is JJPZQRJUHPZAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3O2/c1-4-5-6-11(17-3)10(9-16-2)7-8-12(13,14)15/h10-11H,4-9H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-5-methoxy-4-(methoxymethyl)nonane?
1,1,1-trifluoro-5-methoxy-4-(methoxymethyl)nonane has a molecular weight of 256.31 g/mol, XLogP of 3.80, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-methoxy-4-(methoxymethyl)nonane is sourced from PubChem (CID 87986465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).