1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine

C11H12F5N — CID 107513221

IUPAC1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCNC(CC(F)(F)F)c1ccc(C)c(F)c1F
InChIInChI=1S/C11H12F5N/c1-6-3-4-7(10(13)9(6)12)8(17-2)5-11(14,15)16/h3-4,8,17H,5H2,1-2H3
InChIKeyLVRTZKPUWDIDOB-UHFFFAOYSA-N
MW253.21 g/mol
LogP3.49
Rot. Bonds3

About 1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine

1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine (PubChem CID 107513221) has the molecular formula C11H12F5N and a molecular weight of 253.21 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine
PubChem CID107513221
Molecular FormulaC11H12F5N
Molecular Weight253.21 g/mol
Exact Mass253.09
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCNC(CC(F)(F)F)c1ccc(C)c(F)c1F
InChIInChI=1S/C11H12F5N/c1-6-3-4-7(10(13)9(6)12)8(17-2)5-11(14,15)16/h3-4,8,17H,5H2,1-2H3
InChIKeyLVRTZKPUWDIDOB-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,3-trifluoro-1-(4-fluoro-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 65299193
1-(2,3-difluoro-4-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 107513729
1-(2,3-difluoro-4-methylphenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 107513318
3,3,3-trifluoro-N-methyl-1-(2,4,5-trifluorophenyl)propan-1-amine
CID 103302130
(1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine
CID 130642461
tert-butyl N-[2-(2,3-difluoro-4-methylphenyl)-2-(methylamino)ethyl]carbamate
CID 170910503
3,3,3-trifluoro-1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine
CID 106877928
3,3,3-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine
CID 43561384
1-(2,3-difluoro-4-methylphenyl)-N-methyl-2-pyridin-2-ylethanamine
CID 107513169
1-(2,3-difluoro-4-methylphenyl)propylhydrazine
CID 107516321
1-(2,3-difluoro-4-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 107513287
1-(2-ethoxy-5-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 55056937

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine (CID 107513221) is 1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine is CNC(CC(F)(F)F)c1ccc(C)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The InChIKey is LVRTZKPUWDIDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F5N/c1-6-3-4-7(10(13)9(6)12)8(17-2)5-11(14,15)16/h3-4,8,17H,5H2,1-2H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine?
1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine has a molecular weight of 253.21 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine is sourced from PubChem (CID 107513221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).