N-cyclopropyl-4-fluoroaniline

C9H10FN — CID 22031806

IUPACN-cyclopropyl-4-fluoroaniline
SMILESFc1ccc(NC2CC2)cc1
InChIInChI=1S/C9H10FN/c10-7-1-3-8(4-2-7)11-9-5-6-9/h1-4,9,11H,5-6H2
InChIKeyJFDXGFOMBAHKCU-UHFFFAOYSA-N
MW151.18 g/mol
LogP2.40
Rot. Bonds2

About N-cyclopropyl-4-fluoroaniline

N-cyclopropyl-4-fluoroaniline (PubChem CID 22031806) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoroaniline.

Molecular Properties

Compound NameN-cyclopropyl-4-fluoroaniline
PubChem CID22031806
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC NameN-cyclopropyl-4-fluoroaniline
SMILESFc1ccc(NC2CC2)cc1
InChIInChI=1S/C9H10FN/c10-7-1-3-8(4-2-7)11-9-5-6-9/h1-4,9,11H,5-6H2
InChIKeyJFDXGFOMBAHKCU-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoroaniline?
The IUPAC name of N-cyclopropyl-4-fluoroaniline (CID 22031806) is N-cyclopropyl-4-fluoroaniline.
What is the SMILES notation for N-cyclopropyl-4-fluoroaniline?
The canonical SMILES for N-cyclopropyl-4-fluoroaniline is Fc1ccc(NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-fluoroaniline?
The InChIKey is JFDXGFOMBAHKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN/c10-7-1-3-8(4-2-7)11-9-5-6-9/h1-4,9,11H,5-6H2.
What are the key properties of N-cyclopropyl-4-fluoroaniline?
N-cyclopropyl-4-fluoroaniline has a molecular weight of 151.18 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-fluoroaniline is sourced from PubChem (CID 22031806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).