N-(2-bromoprop-2-enyl)-2-(trifluoromethoxy)aniline

C10H9BrF3NO — CID 60874127

IUPACN-(2-bromoprop-2-enyl)-2-(trifluoromethoxy)aniline
SMILESC=C(Br)CNc1ccccc1OC(F)(F)F
InChIInChI=1S/C10H9BrF3NO/c1-7(11)6-15-8-4-2-3-5-9(8)16-10(12,13)14/h2-5,15H,1,6H2
InChIKeyMXKHTLFCBOCDRM-UHFFFAOYSA-N
MW296.09 g/mol
LogP3.91
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-2-(trifluoromethoxy)aniline

N-(2-bromoprop-2-enyl)-2-(trifluoromethoxy)aniline (PubChem CID 60874127) has the molecular formula C10H9BrF3NO and a molecular weight of 296.09 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-(trifluoromethoxy)aniline
PubChem CID60874127
Molecular FormulaC10H9BrF3NO
Molecular Weight296.09 g/mol
Exact Mass294.98
IUPAC NameN-(2-bromoprop-2-enyl)-2-(trifluoromethoxy)aniline
SMILESC=C(Br)CNc1ccccc1OC(F)(F)F
InChIInChI=1S/C10H9BrF3NO/c1-7(11)6-15-8-4-2-3-5-9(8)16-10(12,13)14/h2-5,15H,1,6H2
InChIKeyMXKHTLFCBOCDRM-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.09
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[2-(trifluoromethoxy)anilino]acetate
CID 28577783
(Z)-3-methyl-4-[2-(trifluoromethoxy)anilino]but-2-enoic acid
CID 103233513
1,1,1-trifluoro-3-[2-(trifluoromethoxy)anilino]propan-2-ol
CID 22675955
N-(cyclopropylmethyl)-2-[2-(trifluoromethoxy)anilino]acetamide
CID 28577768
N-(2-ethylphenyl)-2-[2-(trifluoromethoxy)anilino]acetamide
CID 30644748
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline
CID 87491554
N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline
CID 43560291
3-bromo-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 112683678
N-[(2-bromophenyl)methyl]-2-(trifluoromethoxy)aniline
CID 29294059
N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethoxy)anilino]acetamide
CID 30644517
1-(trifluoromethoxy)-2-[2-[2-(trifluoromethoxy)anilino]hydrazinyl]benzene;hydrochloride
CID 87629751
N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline
CID 29300715

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-(trifluoromethoxy)aniline?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-(trifluoromethoxy)aniline (CID 60874127) is N-(2-bromoprop-2-enyl)-2-(trifluoromethoxy)aniline.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-(trifluoromethoxy)aniline?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-(trifluoromethoxy)aniline is C=C(Br)CNc1ccccc1OC(F)(F)F.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-(trifluoromethoxy)aniline?
The InChIKey is MXKHTLFCBOCDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3NO/c1-7(11)6-15-8-4-2-3-5-9(8)16-10(12,13)14/h2-5,15H,1,6H2.
What are the key properties of N-(2-bromoprop-2-enyl)-2-(trifluoromethoxy)aniline?
N-(2-bromoprop-2-enyl)-2-(trifluoromethoxy)aniline has a molecular weight of 296.09 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2-(trifluoromethoxy)aniline is sourced from PubChem (CID 60874127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).