N-ethenyl-4-(fluoromethyl)aniline

C9H10FN — CID 163560562

IUPACN-ethenyl-4-(fluoromethyl)aniline
SMILESC=CNc1ccc(CF)cc1
InChIInChI=1S/C9H10FN/c1-2-11-9-5-3-8(7-10)4-6-9/h2-6,11H,1,7H2
InChIKeyFQWHOOFEFGZDLW-UHFFFAOYSA-N
MW151.18 g/mol
LogP2.71
Rot. Bonds3

About N-ethenyl-4-(fluoromethyl)aniline

N-ethenyl-4-(fluoromethyl)aniline (PubChem CID 163560562) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is N-ethenyl-4-(fluoromethyl)aniline.

Molecular Properties

Compound NameN-ethenyl-4-(fluoromethyl)aniline
PubChem CID163560562
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC NameN-ethenyl-4-(fluoromethyl)aniline
SMILESC=CNc1ccc(CF)cc1
InChIInChI=1S/C9H10FN/c1-2-11-9-5-3-8(7-10)4-6-9/h2-6,11H,1,7H2
InChIKeyFQWHOOFEFGZDLW-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-4-(fluoromethyl)aniline?
The IUPAC name of N-ethenyl-4-(fluoromethyl)aniline (CID 163560562) is N-ethenyl-4-(fluoromethyl)aniline.
What is the SMILES notation for N-ethenyl-4-(fluoromethyl)aniline?
The canonical SMILES for N-ethenyl-4-(fluoromethyl)aniline is C=CNc1ccc(CF)cc1.
What is the InChIKey of N-ethenyl-4-(fluoromethyl)aniline?
The InChIKey is FQWHOOFEFGZDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN/c1-2-11-9-5-3-8(7-10)4-6-9/h2-6,11H,1,7H2.
What are the key properties of N-ethenyl-4-(fluoromethyl)aniline?
N-ethenyl-4-(fluoromethyl)aniline has a molecular weight of 151.18 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-4-(fluoromethyl)aniline is sourced from PubChem (CID 163560562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).