3-cyclopropyl-4-fluoroaniline

C9H10FN — CID 57416303

IUPAC3-cyclopropyl-4-fluoroaniline
SMILESNc1ccc(F)c(C2CC2)c1
InChIInChI=1S/C9H10FN/c10-9-4-3-7(11)5-8(9)6-1-2-6/h3-6H,1-2,11H2
InChIKeyUPVCQWRGQKENMP-UHFFFAOYSA-N
MW151.18 g/mol
LogP2.29
Rot. Bonds1

About 3-cyclopropyl-4-fluoroaniline

3-cyclopropyl-4-fluoroaniline (PubChem CID 57416303) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is 3-cyclopropyl-4-fluoroaniline.

Molecular Properties

Compound Name3-cyclopropyl-4-fluoroaniline
PubChem CID57416303
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Name3-cyclopropyl-4-fluoroaniline
SMILESNc1ccc(F)c(C2CC2)c1
InChIInChI=1S/C9H10FN/c10-9-4-3-7(11)5-8(9)6-1-2-6/h3-6H,1-2,11H2
InChIKeyUPVCQWRGQKENMP-UHFFFAOYSA-N
XLogP2.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-fluoroaniline?
The IUPAC name of 3-cyclopropyl-4-fluoroaniline (CID 57416303) is 3-cyclopropyl-4-fluoroaniline.
What is the SMILES notation for 3-cyclopropyl-4-fluoroaniline?
The canonical SMILES for 3-cyclopropyl-4-fluoroaniline is Nc1ccc(F)c(C2CC2)c1.
What is the InChIKey of 3-cyclopropyl-4-fluoroaniline?
The InChIKey is UPVCQWRGQKENMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN/c10-9-4-3-7(11)5-8(9)6-1-2-6/h3-6H,1-2,11H2.
What are the key properties of 3-cyclopropyl-4-fluoroaniline?
3-cyclopropyl-4-fluoroaniline has a molecular weight of 151.18 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-fluoroaniline is sourced from PubChem (CID 57416303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).