2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-6-fluoroaniline

C10H10BrClFN — CID 106438200

IUPAC2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-6-fluoroaniline
SMILESC/C(=C/Cl)CNc1c(F)cccc1Br
InChIInChI=1S/C10H10BrClFN/c1-7(5-12)6-14-10-8(11)3-2-4-9(10)13/h2-5,14H,6H2,1H3/b7-5-
InChIKeyAZUJGPDWFMZPRS-ALCCZGGFSA-N
MW278.55 g/mol
LogP4.14
Rot. Bonds3

About 2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-6-fluoroaniline

2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-6-fluoroaniline (PubChem CID 106438200) has the molecular formula C10H10BrClFN and a molecular weight of 278.55 g/mol. Its IUPAC name is 2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-6-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-6-fluoroaniline
PubChem CID106438200
Molecular FormulaC10H10BrClFN
Molecular Weight278.55 g/mol
Exact Mass276.97
IUPAC Name2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-6-fluoroaniline
SMILESC/C(=C/Cl)CNc1c(F)cccc1Br
InChIInChI=1S/C10H10BrClFN/c1-7(5-12)6-14-10-8(11)3-2-4-9(10)13/h2-5,14H,6H2,1H3/b7-5-
InChIKeyAZUJGPDWFMZPRS-ALCCZGGFSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.55
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(Z)-3-chloro-2-methylprop-2-enyl]-2,6-difluoroaniline
CID 106437429
N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline
CID 106437375
N-(3-chloro-2-methylprop-2-enyl)-2,3,4,5,6-pentafluoroaniline
CID 114188786
(2R)-1-(2-bromo-6-fluoroanilino)propan-2-ol
CID 107599492
N-[2-(2-bromo-6-fluoroanilino)ethyl]acetamide
CID 107599336
2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-6-fluorobenzonitrile
CID 106437488
(Z)-4-(2,6-difluoroanilino)-3-methylbut-2-enoic acid
CID 103236519
2-(2-bromo-6-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 103741858
N-(2-bromo-6-fluorophenyl)acetamide
CID 59145529
2-bromo-N-[(2,6-dichlorophenyl)methyl]-6-fluoroaniline
CID 107598297
3-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline
CID 106437425
2-(2-bromo-6-fluoroanilino)-N-(3-methylbutyl)acetamide
CID 113252866

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-6-fluoroaniline?
The IUPAC name of 2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-6-fluoroaniline (CID 106438200) is 2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-6-fluoroaniline.
What is the SMILES notation for 2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-6-fluoroaniline?
The canonical SMILES for 2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-6-fluoroaniline is C/C(=C/Cl)CNc1c(F)cccc1Br.
What is the InChIKey of 2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-6-fluoroaniline?
The InChIKey is AZUJGPDWFMZPRS-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H10BrClFN/c1-7(5-12)6-14-10-8(11)3-2-4-9(10)13/h2-5,14H,6H2,1H3/b7-5-.
What are the key properties of 2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-6-fluoroaniline?
2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-6-fluoroaniline has a molecular weight of 278.55 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-6-fluoroaniline is sourced from PubChem (CID 106438200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).