N-ethenyl-3-fluoro-2-methylaniline

C9H10FN — CID 138553512

IUPACN-ethenyl-3-fluoro-2-methylaniline
SMILESC=CNc1cccc(F)c1C
InChIInChI=1S/C9H10FN/c1-3-11-9-6-4-5-8(10)7(9)2/h3-6,11H,1H2,2H3
InChIKeyFXHVFPIWXINNTO-UHFFFAOYSA-N
MW151.18 g/mol
LogP2.69
Rot. Bonds2

About N-ethenyl-3-fluoro-2-methylaniline

N-ethenyl-3-fluoro-2-methylaniline (PubChem CID 138553512) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is N-ethenyl-3-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-ethenyl-3-fluoro-2-methylaniline
PubChem CID138553512
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC NameN-ethenyl-3-fluoro-2-methylaniline
SMILESC=CNc1cccc(F)c1C
InChIInChI=1S/C9H10FN/c1-3-11-9-6-4-5-8(10)7(9)2/h3-6,11H,1H2,2H3
InChIKeyFXHVFPIWXINNTO-UHFFFAOYSA-N
XLogP2.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-3-fluoro-2-methylaniline?
The IUPAC name of N-ethenyl-3-fluoro-2-methylaniline (CID 138553512) is N-ethenyl-3-fluoro-2-methylaniline.
What is the SMILES notation for N-ethenyl-3-fluoro-2-methylaniline?
The canonical SMILES for N-ethenyl-3-fluoro-2-methylaniline is C=CNc1cccc(F)c1C.
What is the InChIKey of N-ethenyl-3-fluoro-2-methylaniline?
The InChIKey is FXHVFPIWXINNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN/c1-3-11-9-6-4-5-8(10)7(9)2/h3-6,11H,1H2,2H3.
What are the key properties of N-ethenyl-3-fluoro-2-methylaniline?
N-ethenyl-3-fluoro-2-methylaniline has a molecular weight of 151.18 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-3-fluoro-2-methylaniline is sourced from PubChem (CID 138553512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).