N-methoxy-N-methyl-3-(trifluoromethyl)nonanamide

C12H22F3NO2 — CID 135039934

IUPACN-methoxy-N-methyl-3-(trifluoromethyl)nonanamide
SMILESCCCCCCC(CC(=O)N(C)OC)C(F)(F)F
InChIInChI=1S/C12H22F3NO2/c1-4-5-6-7-8-10(12(13,14)15)9-11(17)16(2)18-3/h10H,4-9H2,1-3H3
InChIKeyOVCLAJNMLZJJGG-UHFFFAOYSA-N
MW269.31 g/mol
LogP3.55
Rot. Bonds8

About N-methoxy-N-methyl-3-(trifluoromethyl)nonanamide

N-methoxy-N-methyl-3-(trifluoromethyl)nonanamide (PubChem CID 135039934) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is N-methoxy-N-methyl-3-(trifluoromethyl)nonanamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-3-(trifluoromethyl)nonanamide
PubChem CID135039934
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC NameN-methoxy-N-methyl-3-(trifluoromethyl)nonanamide
SMILESCCCCCCC(CC(=O)N(C)OC)C(F)(F)F
InChIInChI=1S/C12H22F3NO2/c1-4-5-6-7-8-10(12(13,14)15)9-11(17)16(2)18-3/h10H,4-9H2,1-3H3
InChIKeyOVCLAJNMLZJJGG-UHFFFAOYSA-N
XLogP3.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-3-(trifluoromethyl)nonanamide?
The IUPAC name of N-methoxy-N-methyl-3-(trifluoromethyl)nonanamide (CID 135039934) is N-methoxy-N-methyl-3-(trifluoromethyl)nonanamide.
What is the SMILES notation for N-methoxy-N-methyl-3-(trifluoromethyl)nonanamide?
The canonical SMILES for N-methoxy-N-methyl-3-(trifluoromethyl)nonanamide is CCCCCCC(CC(=O)N(C)OC)C(F)(F)F.
What is the InChIKey of N-methoxy-N-methyl-3-(trifluoromethyl)nonanamide?
The InChIKey is OVCLAJNMLZJJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-4-5-6-7-8-10(12(13,14)15)9-11(17)16(2)18-3/h10H,4-9H2,1-3H3.
What are the key properties of N-methoxy-N-methyl-3-(trifluoromethyl)nonanamide?
N-methoxy-N-methyl-3-(trifluoromethyl)nonanamide has a molecular weight of 269.31 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-3-(trifluoromethyl)nonanamide is sourced from PubChem (CID 135039934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).