N-(2-bromoprop-2-enyl)-2-fluoro-5-(trifluoromethyl)aniline

C10H8BrF4N — CID 63036495

IUPACN-(2-bromoprop-2-enyl)-2-fluoro-5-(trifluoromethyl)aniline
SMILESC=C(Br)CNc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C10H8BrF4N/c1-6(11)5-16-9-4-7(10(13,14)15)2-3-8(9)12/h2-4,16H,1,5H2
InChIKeyKJMXSVFANPWZCE-UHFFFAOYSA-N
MW298.08 g/mol
LogP4.16
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-2-fluoro-5-(trifluoromethyl)aniline

N-(2-bromoprop-2-enyl)-2-fluoro-5-(trifluoromethyl)aniline (PubChem CID 63036495) has the molecular formula C10H8BrF4N and a molecular weight of 298.08 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-fluoro-5-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-fluoro-5-(trifluoromethyl)aniline
PubChem CID63036495
Molecular FormulaC10H8BrF4N
Molecular Weight298.08 g/mol
Exact Mass296.98
IUPAC NameN-(2-bromoprop-2-enyl)-2-fluoro-5-(trifluoromethyl)aniline
SMILESC=C(Br)CNc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C10H8BrF4N/c1-6(11)5-16-9-4-7(10(13,14)15)2-3-8(9)12/h2-4,16H,1,5H2
InChIKeyKJMXSVFANPWZCE-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.08
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-chloroprop-2-enyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63036670
N-(2-bromoprop-2-enyl)-5-chloro-2-fluoroaniline
CID 60873202
2-[2-fluoro-5-(trifluoromethyl)anilino]-N-(2,2,2-trifluoroethyl)acetamide
CID 63036661
N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63037190
4-[2-fluoro-5-(trifluoromethyl)anilino]butan-1-ol
CID 63036135
2-fluoro-N-prop-2-ynyl-5-(trifluoromethyl)aniline
CID 63036318
2-fluoro-N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 63036121
2-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)aniline
CID 66481146
N-(2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63462098
N-(2-bromoprop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine
CID 115594979
1-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol
CID 65210798
2-[2-fluoro-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide
CID 86886800

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-fluoro-5-(trifluoromethyl)aniline?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-fluoro-5-(trifluoromethyl)aniline (CID 63036495) is N-(2-bromoprop-2-enyl)-2-fluoro-5-(trifluoromethyl)aniline.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-fluoro-5-(trifluoromethyl)aniline?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-fluoro-5-(trifluoromethyl)aniline is C=C(Br)CNc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-fluoro-5-(trifluoromethyl)aniline?
The InChIKey is KJMXSVFANPWZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF4N/c1-6(11)5-16-9-4-7(10(13,14)15)2-3-8(9)12/h2-4,16H,1,5H2.
What are the key properties of N-(2-bromoprop-2-enyl)-2-fluoro-5-(trifluoromethyl)aniline?
N-(2-bromoprop-2-enyl)-2-fluoro-5-(trifluoromethyl)aniline has a molecular weight of 298.08 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2-fluoro-5-(trifluoromethyl)aniline is sourced from PubChem (CID 63036495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).