2-fluoro-N-[1-(1-methylcyclopropyl)ethyl]-5-(trifluoromethyl)aniline

C13H15F4N — CID 55193729

IUPAC2-fluoro-N-[1-(1-methylcyclopropyl)ethyl]-5-(trifluoromethyl)aniline
SMILESCC(Nc1cc(C(F)(F)F)ccc1F)C1(C)CC1
InChIInChI=1S/C13H15F4N/c1-8(12(2)5-6-12)18-11-7-9(13(15,16)17)3-4-10(11)14/h3-4,7-8,18H,5-6H2,1-2H3
InChIKeyRVJYPWUTEMWPJO-UHFFFAOYSA-N
MW261.26 g/mol
LogP4.45
Rot. Bonds3

About 2-fluoro-N-[1-(1-methylcyclopropyl)ethyl]-5-(trifluoromethyl)aniline

2-fluoro-N-[1-(1-methylcyclopropyl)ethyl]-5-(trifluoromethyl)aniline (PubChem CID 55193729) has the molecular formula C13H15F4N and a molecular weight of 261.26 g/mol. Its IUPAC name is 2-fluoro-N-[1-(1-methylcyclopropyl)ethyl]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-[1-(1-methylcyclopropyl)ethyl]-5-(trifluoromethyl)aniline
PubChem CID55193729
Molecular FormulaC13H15F4N
Molecular Weight261.26 g/mol
Exact Mass261.11
IUPAC Name2-fluoro-N-[1-(1-methylcyclopropyl)ethyl]-5-(trifluoromethyl)aniline
SMILESCC(Nc1cc(C(F)(F)F)ccc1F)C1(C)CC1
InChIInChI=1S/C13H15F4N/c1-8(12(2)5-6-12)18-11-7-9(13(15,16)17)3-4-10(11)14/h3-4,7-8,18H,5-6H2,1-2H3
InChIKeyRVJYPWUTEMWPJO-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,6-dimethylheptan-4-yl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63462426
2-fluoro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)aniline
CID 55144774
methyl 2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate
CID 63036312
2,3-difluoro-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 61076984
2-[2-fluoro-5-(trifluoromethyl)anilino]-N'-hydroxypropanimidamide
CID 77032131
methyl 3-amino-2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate
CID 114242293
2,4-difluoro-5-[1-(1-methylcyclopropyl)ethylamino]benzoic acid
CID 43737134
2-[2-fluoro-5-(trifluoromethyl)anilino]-N-propylpropanamide
CID 63037185
(2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119279745
1-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol
CID 65210798
N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63037190
N-(2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63462098

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(1-methylcyclopropyl)ethyl]-5-(trifluoromethyl)aniline?
The IUPAC name of 2-fluoro-N-[1-(1-methylcyclopropyl)ethyl]-5-(trifluoromethyl)aniline (CID 55193729) is 2-fluoro-N-[1-(1-methylcyclopropyl)ethyl]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-fluoro-N-[1-(1-methylcyclopropyl)ethyl]-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-fluoro-N-[1-(1-methylcyclopropyl)ethyl]-5-(trifluoromethyl)aniline is CC(Nc1cc(C(F)(F)F)ccc1F)C1(C)CC1.
What is the InChIKey of 2-fluoro-N-[1-(1-methylcyclopropyl)ethyl]-5-(trifluoromethyl)aniline?
The InChIKey is RVJYPWUTEMWPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4N/c1-8(12(2)5-6-12)18-11-7-9(13(15,16)17)3-4-10(11)14/h3-4,7-8,18H,5-6H2,1-2H3.
What are the key properties of 2-fluoro-N-[1-(1-methylcyclopropyl)ethyl]-5-(trifluoromethyl)aniline?
2-fluoro-N-[1-(1-methylcyclopropyl)ethyl]-5-(trifluoromethyl)aniline has a molecular weight of 261.26 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(1-methylcyclopropyl)ethyl]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 55193729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).