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

C10H18F3NO2 — CID 135016110

IUPACN-methoxy-N-methyl-3-(trifluoromethyl)heptanamide
SMILESCCCCC(CC(=O)N(C)OC)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-4-5-6-8(10(11,12)13)7-9(15)14(2)16-3/h8H,4-7H2,1-3H3
InChIKeyIMJFYOHFAMNTAZ-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.77
Rot. Bonds6

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

N-methoxy-N-methyl-3-(trifluoromethyl)heptanamide (PubChem CID 135016110) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-methoxy-N-methyl-3-(trifluoromethyl)heptanamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-3-(trifluoromethyl)heptanamide
PubChem CID135016110
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC NameN-methoxy-N-methyl-3-(trifluoromethyl)heptanamide
SMILESCCCCC(CC(=O)N(C)OC)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-4-5-6-8(10(11,12)13)7-9(15)14(2)16-3/h8H,4-7H2,1-3H3
InChIKeyIMJFYOHFAMNTAZ-UHFFFAOYSA-N
XLogP2.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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)heptanamide?
The IUPAC name of N-methoxy-N-methyl-3-(trifluoromethyl)heptanamide (CID 135016110) is N-methoxy-N-methyl-3-(trifluoromethyl)heptanamide.
What is the SMILES notation for N-methoxy-N-methyl-3-(trifluoromethyl)heptanamide?
The canonical SMILES for N-methoxy-N-methyl-3-(trifluoromethyl)heptanamide is CCCCC(CC(=O)N(C)OC)C(F)(F)F.
What is the InChIKey of N-methoxy-N-methyl-3-(trifluoromethyl)heptanamide?
The InChIKey is IMJFYOHFAMNTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-4-5-6-8(10(11,12)13)7-9(15)14(2)16-3/h8H,4-7H2,1-3H3.
What are the key properties of N-methoxy-N-methyl-3-(trifluoromethyl)heptanamide?
N-methoxy-N-methyl-3-(trifluoromethyl)heptanamide has a molecular weight of 241.25 g/mol, XLogP of 2.77, 6 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)heptanamide is sourced from PubChem (CID 135016110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).