3,3,3-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine

C11H13F4NO — CID 43561384

IUPAC3,3,3-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNC(CC(F)(F)F)c1ccc(OC)cc1F
InChIInChI=1S/C11H13F4NO/c1-16-10(6-11(13,14)15)8-4-3-7(17-2)5-9(8)12/h3-5,10,16H,6H2,1-2H3
InChIKeyYVMWWASRUDFTLK-UHFFFAOYSA-N
MW251.22 g/mol
LogP3.05
Rot. Bonds4

About 3,3,3-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine

3,3,3-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine (PubChem CID 43561384) has the molecular formula C11H13F4NO and a molecular weight of 251.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine
PubChem CID43561384
Molecular FormulaC11H13F4NO
Molecular Weight251.22 g/mol
Exact Mass251.09
IUPAC Name3,3,3-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNC(CC(F)(F)F)c1ccc(OC)cc1F
InChIInChI=1S/C11H13F4NO/c1-16-10(6-11(13,14)15)8-4-3-7(17-2)5-9(8)12/h3-5,10,16H,6H2,1-2H3
InChIKeyYVMWWASRUDFTLK-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpentan-1-amine
CID 115517528
1-(1-chloro-3,3,3-trifluoropropyl)-2-fluoro-4-methoxybenzene
CID 61083870
1-(2-fluoro-4-methoxyphenyl)-N,5-dimethylhexan-1-amine
CID 83162028
1-(2-fluoro-4-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 103395769
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 43561357
2-(4-chlorophenoxy)-1-(2-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 103397391
3,3,3-trifluoro-N-methyl-1-(2,4,5-trifluorophenyl)propan-1-amine
CID 103302130
1-(2-fluoro-4-methoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 81305355
1-(2-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 43561440
[5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)pentyl]hydrazine
CID 105256874
1-(2-fluoro-4-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 43561378
1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 102883527

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine (CID 43561384) is 3,3,3-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine is CNC(CC(F)(F)F)c1ccc(OC)cc1F.
What is the InChIKey of 3,3,3-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine?
The InChIKey is YVMWWASRUDFTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4NO/c1-16-10(6-11(13,14)15)8-4-3-7(17-2)5-9(8)12/h3-5,10,16H,6H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine?
3,3,3-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine has a molecular weight of 251.22 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 43561384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).