N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-methyl-5-(trifluoromethyl)aniline

C12H13ClF3N — CID 106437871

IUPACN-[(Z)-3-chloro-2-methylprop-2-enyl]-2-methyl-5-(trifluoromethyl)aniline
SMILESC/C(=C/Cl)CNc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C12H13ClF3N/c1-8(6-13)7-17-11-5-10(12(14,15)16)4-3-9(11)2/h3-6,17H,7H2,1-2H3/b8-6-
InChIKeyOVFMCGQMWGOPSE-VURMDHGXSA-N
MW263.69 g/mol
LogP4.57
Rot. Bonds3

About N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-methyl-5-(trifluoromethyl)aniline

N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-methyl-5-(trifluoromethyl)aniline (PubChem CID 106437871) has the molecular formula C12H13ClF3N and a molecular weight of 263.69 g/mol. Its IUPAC name is N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-methyl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(Z)-3-chloro-2-methylprop-2-enyl]-2-methyl-5-(trifluoromethyl)aniline
PubChem CID106437871
Molecular FormulaC12H13ClF3N
Molecular Weight263.69 g/mol
Exact Mass263.07
IUPAC NameN-[(Z)-3-chloro-2-methylprop-2-enyl]-2-methyl-5-(trifluoromethyl)aniline
SMILESC/C(=C/Cl)CNc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C12H13ClF3N/c1-8(6-13)7-17-11-5-10(12(14,15)16)4-3-9(11)2/h3-6,17H,7H2,1-2H3/b8-6-
InChIKeyOVFMCGQMWGOPSE-VURMDHGXSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)aniline
CID 66481146
N-ethyl-2-methyl-5-(trifluoromethyl)aniline
CID 66480929
(2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 106932273
1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 66479358
2-methyl-N-prop-2-enyl-5-(trifluoromethyl)aniline
CID 66479743
N-butan-2-yl-2-[2-methyl-5-(trifluoromethyl)anilino]acetamide
CID 66476966
2-[2-chloro-5-(trifluoromethyl)anilino]-N-(2,5-dimethylphenyl)acetamide
CID 109007403
(Z)-2-ethyl-4-[2-methyl-5-(trifluoromethyl)anilino]but-2-enoic acid
CID 103255420
(Z)-4-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbut-2-enoic acid
CID 103250830
2-methyl-N-oxido-5-(trifluoromethyl)aniline
CID 176656270
3-[2-methyl-5-(trifluoromethyl)anilino]butanoic acid
CID 66480950
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline
CID 66480735

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-methyl-5-(trifluoromethyl)aniline?
The IUPAC name of N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-methyl-5-(trifluoromethyl)aniline (CID 106437871) is N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-methyl-5-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-methyl-5-(trifluoromethyl)aniline?
The canonical SMILES for N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-methyl-5-(trifluoromethyl)aniline is C/C(=C/Cl)CNc1cc(C(F)(F)F)ccc1C.
What is the InChIKey of N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-methyl-5-(trifluoromethyl)aniline?
The InChIKey is OVFMCGQMWGOPSE-VURMDHGXSA-N. The full InChI is InChI=1S/C12H13ClF3N/c1-8(6-13)7-17-11-5-10(12(14,15)16)4-3-9(11)2/h3-6,17H,7H2,1-2H3/b8-6-.
What are the key properties of N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-methyl-5-(trifluoromethyl)aniline?
N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-methyl-5-(trifluoromethyl)aniline has a molecular weight of 263.69 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-methyl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 106437871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).