N-(2-bromoprop-2-enyl)-5-chloro-2-fluoroaniline

C9H8BrClFN — CID 60873202

IUPACN-(2-bromoprop-2-enyl)-5-chloro-2-fluoroaniline
SMILESC=C(Br)CNc1cc(Cl)ccc1F
InChIInChI=1S/C9H8BrClFN/c1-6(10)5-13-9-4-7(11)2-3-8(9)12/h2-4,13H,1,5H2
InChIKeyTUACFBXHCHNDCF-UHFFFAOYSA-N
MW264.53 g/mol
LogP3.80
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-5-chloro-2-fluoroaniline

N-(2-bromoprop-2-enyl)-5-chloro-2-fluoroaniline (PubChem CID 60873202) has the molecular formula C9H8BrClFN and a molecular weight of 264.53 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-5-chloro-2-fluoroaniline.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-5-chloro-2-fluoroaniline
PubChem CID60873202
Molecular FormulaC9H8BrClFN
Molecular Weight264.53 g/mol
Exact Mass262.95
IUPAC NameN-(2-bromoprop-2-enyl)-5-chloro-2-fluoroaniline
SMILESC=C(Br)CNc1cc(Cl)ccc1F
InChIInChI=1S/C9H8BrClFN/c1-6(10)5-13-9-4-7(11)2-3-8(9)12/h2-4,13H,1,5H2
InChIKeyTUACFBXHCHNDCF-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.53
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 63036495
N-(2-bromoprop-2-enyl)-4-chloro-3-fluoroaniline
CID 61467052
2-bromo-N-[(3-chloro-4-fluorophenyl)methyl]prop-2-en-1-amine
CID 62537461
N-(2-bromoprop-2-enyl)-2-chloro-5-methylaniline
CID 107634618
2-(5-chloro-2-fluoroanilino)-N-(2,6-difluorophenyl)acetamide
CID 43408880
N-(5-chloro-2-fluorophenyl)hydroxylamine
CID 156796645
2-(5-chloro-2-fluoroanilino)-N-(2,6-dichlorophenyl)acetamide
CID 43408884
2-(5-chloro-2-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 43385683
2-(5-chloro-2-fluoroanilino)-N-methyl-N-propan-2-ylacetamide
CID 43385741
N-(2-chloroprop-2-enyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63036670
5-chloro-2-fluoro-N-(3-fluoropropyl)aniline
CID 81107052
2,6-dibromo-N-(2-bromoprop-2-enyl)-4-chloroaniline
CID 130483994

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-5-chloro-2-fluoroaniline?
The IUPAC name of N-(2-bromoprop-2-enyl)-5-chloro-2-fluoroaniline (CID 60873202) is N-(2-bromoprop-2-enyl)-5-chloro-2-fluoroaniline.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-5-chloro-2-fluoroaniline?
The canonical SMILES for N-(2-bromoprop-2-enyl)-5-chloro-2-fluoroaniline is C=C(Br)CNc1cc(Cl)ccc1F.
What is the InChIKey of N-(2-bromoprop-2-enyl)-5-chloro-2-fluoroaniline?
The InChIKey is TUACFBXHCHNDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClFN/c1-6(10)5-13-9-4-7(11)2-3-8(9)12/h2-4,13H,1,5H2.
What are the key properties of N-(2-bromoprop-2-enyl)-5-chloro-2-fluoroaniline?
N-(2-bromoprop-2-enyl)-5-chloro-2-fluoroaniline has a molecular weight of 264.53 g/mol, XLogP of 3.80, 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)-5-chloro-2-fluoroaniline is sourced from PubChem (CID 60873202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).