N-(2-bromoprop-2-enyl)-2-fluoro-N-methylaniline

C10H11BrFN — CID 11128522

IUPACN-(2-bromoprop-2-enyl)-2-fluoro-N-methylaniline
SMILESC=C(Br)CN(C)c1ccccc1F
InChIInChI=1S/C10H11BrFN/c1-8(11)7-13(2)10-6-4-3-5-9(10)12/h3-6H,1,7H2,2H3
InChIKeyJCCNRALAUDENFJ-UHFFFAOYSA-N
MW244.11 g/mol
LogP3.17
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-2-fluoro-N-methylaniline

N-(2-bromoprop-2-enyl)-2-fluoro-N-methylaniline (PubChem CID 11128522) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-fluoro-N-methylaniline
PubChem CID11128522
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC NameN-(2-bromoprop-2-enyl)-2-fluoro-N-methylaniline
SMILESC=C(Br)CN(C)c1ccccc1F
InChIInChI=1S/C10H11BrFN/c1-8(11)7-13(2)10-6-4-3-5-9(10)12/h3-6H,1,7H2,2H3
InChIKeyJCCNRALAUDENFJ-UHFFFAOYSA-N
XLogP3.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 949
CID 949
CID 7670
CID 7670
CID 7061
CID 7061
CID 7490
CID 7490
CID 94135
CID 94135
CID 14310
CID 14310
CID 67309
CID 67309
CID 33984
CID 33984
CID 8995
CID 8995
CID 15913
CID 15913
CID 7093
CID 7093
CID 27663
CID 27663

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-fluoro-N-methylaniline?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-fluoro-N-methylaniline (CID 11128522) is N-(2-bromoprop-2-enyl)-2-fluoro-N-methylaniline.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-fluoro-N-methylaniline?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-fluoro-N-methylaniline is C=C(Br)CN(C)c1ccccc1F.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-fluoro-N-methylaniline?
The InChIKey is JCCNRALAUDENFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN/c1-8(11)7-13(2)10-6-4-3-5-9(10)12/h3-6H,1,7H2,2H3.
What are the key properties of N-(2-bromoprop-2-enyl)-2-fluoro-N-methylaniline?
N-(2-bromoprop-2-enyl)-2-fluoro-N-methylaniline has a molecular weight of 244.11 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2-fluoro-N-methylaniline is sourced from PubChem (CID 11128522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).