2-(5-bromo-2-fluoroanilino)-5-(trifluoromethyl)benzonitrile

C14H7BrF4N2 — CID 43555845

IUPAC2-(5-bromo-2-fluoroanilino)-5-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(C(F)(F)F)ccc1Nc1cc(Br)ccc1F
InChIInChI=1S/C14H7BrF4N2/c15-10-2-3-11(16)13(6-10)21-12-4-1-9(14(17,18)19)5-8(12)7-20/h1-6,21H
InChIKeyBBXMKKCLVQVRGE-UHFFFAOYSA-N
MW359.12 g/mol
LogP5.22
Rot. Bonds2

About 2-(5-bromo-2-fluoroanilino)-5-(trifluoromethyl)benzonitrile

2-(5-bromo-2-fluoroanilino)-5-(trifluoromethyl)benzonitrile (PubChem CID 43555845) has the molecular formula C14H7BrF4N2 and a molecular weight of 359.12 g/mol. Its IUPAC name is 2-(5-bromo-2-fluoroanilino)-5-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2-(5-bromo-2-fluoroanilino)-5-(trifluoromethyl)benzonitrile
PubChem CID43555845
Molecular FormulaC14H7BrF4N2
Molecular Weight359.12 g/mol
Exact Mass357.97
IUPAC Name2-(5-bromo-2-fluoroanilino)-5-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(C(F)(F)F)ccc1Nc1cc(Br)ccc1F
InChIInChI=1S/C14H7BrF4N2/c15-10-2-3-11(16)13(6-10)21-12-4-1-9(14(17,18)19)5-8(12)7-20/h1-6,21H
InChIKeyBBXMKKCLVQVRGE-UHFFFAOYSA-N
XLogP5.22
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.12
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-amino-5-bromoanilino)-5-(trifluoromethyl)benzonitrile
CID 115910960
2-(4-bromo-3-fluoroanilino)-5-(trifluoromethyl)benzonitrile
CID 65436552
2-[(3-bromo-4-pyridinyl)amino]-5-(trifluoromethyl)benzonitrile
CID 104778612
2-(4,5-difluoro-2-nitroanilino)-5-(trifluoromethyl)benzonitrile
CID 58625964
2-(5-bromo-2-fluorophenoxy)-5-(trifluoromethyl)benzonitrile
CID 114672339
2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-5-(trifluoromethyl)benzonitrile
CID 112556246
5-(4-bromo-2-cyanoanilino)-2-fluorobenzonitrile
CID 114890634
2-(2,5-dimethylanilino)-5-(trifluoromethyl)benzonitrile
CID 43153539
3-amino-4-[2-fluoro-5-(trifluoromethyl)anilino]benzonitrile
CID 63035963
2-(2-amino-4-methylanilino)-5-(trifluoromethyl)benzonitrile
CID 115910953
3-chloro-4-[2-fluoro-5-(trifluoromethyl)anilino]benzonitrile
CID 63510677
2-(4-amino-2-iodoanilino)-5-(trifluoromethyl)benzonitrile
CID 115910956

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluoroanilino)-5-(trifluoromethyl)benzonitrile?
The IUPAC name of 2-(5-bromo-2-fluoroanilino)-5-(trifluoromethyl)benzonitrile (CID 43555845) is 2-(5-bromo-2-fluoroanilino)-5-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2-(5-bromo-2-fluoroanilino)-5-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2-(5-bromo-2-fluoroanilino)-5-(trifluoromethyl)benzonitrile is N#Cc1cc(C(F)(F)F)ccc1Nc1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluoroanilino)-5-(trifluoromethyl)benzonitrile?
The InChIKey is BBXMKKCLVQVRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrF4N2/c15-10-2-3-11(16)13(6-10)21-12-4-1-9(14(17,18)19)5-8(12)7-20/h1-6,21H.
What are the key properties of 2-(5-bromo-2-fluoroanilino)-5-(trifluoromethyl)benzonitrile?
2-(5-bromo-2-fluoroanilino)-5-(trifluoromethyl)benzonitrile has a molecular weight of 359.12 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluoroanilino)-5-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 43555845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).