8,8,8-trifluoro-3-methoxy-N,2-dimethyloctan-4-amine

C11H22F3NO — CID 116720021

IUPAC8,8,8-trifluoro-3-methoxy-N,2-dimethyloctan-4-amine
SMILESCNC(CCCC(F)(F)F)C(OC)C(C)C
InChIInChI=1S/C11H22F3NO/c1-8(2)10(16-4)9(15-3)6-5-7-11(12,13)14/h8-10,15H,5-7H2,1-4H3
InChIKeyIDZRXNXLFAGQNV-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.98
Rot. Bonds7

About 8,8,8-trifluoro-3-methoxy-N,2-dimethyloctan-4-amine

8,8,8-trifluoro-3-methoxy-N,2-dimethyloctan-4-amine (PubChem CID 116720021) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 8,8,8-trifluoro-3-methoxy-N,2-dimethyloctan-4-amine.

Molecular Properties

Compound Name8,8,8-trifluoro-3-methoxy-N,2-dimethyloctan-4-amine
PubChem CID116720021
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name8,8,8-trifluoro-3-methoxy-N,2-dimethyloctan-4-amine
SMILESCNC(CCCC(F)(F)F)C(OC)C(C)C
InChIInChI=1S/C11H22F3NO/c1-8(2)10(16-4)9(15-3)6-5-7-11(12,13)14/h8-10,15H,5-7H2,1-4H3
InChIKeyIDZRXNXLFAGQNV-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine
CID 20648533
5-fluoro-N,2,4,6-tetramethyloxan-3-amine
CID 59938453
N-butyl-5,5-difluoro-6-methoxy-4,7-dimethyloctan-1-amine
CID 146228722
3,3-Difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine;molecular hydrogen
CID 171531442
(2S,3S,4S,5R)-4-fluoro-N-methyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
CID 176612956
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine
CID 54962012
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
CID 55036583
N,7-dimethyl-1-(2,2,2-trifluoroethoxy)octan-4-amine
CID 55095372
N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 62111093
N-methyl-2-(2,2,2-trifluoroethoxy)cyclododecan-1-amine
CID 63474498
2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
CID 64102732
N-ethyl-2-methyl-8-(2,2,2-trifluoroethoxy)octan-3-amine
CID 64496915

Frequently Asked Questions

What is the IUPAC name of 8,8,8-trifluoro-3-methoxy-N,2-dimethyloctan-4-amine?
The IUPAC name of 8,8,8-trifluoro-3-methoxy-N,2-dimethyloctan-4-amine (CID 116720021) is 8,8,8-trifluoro-3-methoxy-N,2-dimethyloctan-4-amine.
What is the SMILES notation for 8,8,8-trifluoro-3-methoxy-N,2-dimethyloctan-4-amine?
The canonical SMILES for 8,8,8-trifluoro-3-methoxy-N,2-dimethyloctan-4-amine is CNC(CCCC(F)(F)F)C(OC)C(C)C.
What is the InChIKey of 8,8,8-trifluoro-3-methoxy-N,2-dimethyloctan-4-amine?
The InChIKey is IDZRXNXLFAGQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-8(2)10(16-4)9(15-3)6-5-7-11(12,13)14/h8-10,15H,5-7H2,1-4H3.
What are the key properties of 8,8,8-trifluoro-3-methoxy-N,2-dimethyloctan-4-amine?
8,8,8-trifluoro-3-methoxy-N,2-dimethyloctan-4-amine has a molecular weight of 241.30 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,8-trifluoro-3-methoxy-N,2-dimethyloctan-4-amine is sourced from PubChem (CID 116720021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).