3-ethyl-2-fluoroaniline

C8H10FN — CID 67071898

IUPAC3-ethyl-2-fluoroaniline
SMILESCCc1cccc(N)c1F
InChIInChI=1S/C8H10FN/c1-2-6-4-3-5-7(10)8(6)9/h3-5H,2,10H2,1H3
InChIKeyRFUISRVSHVPCKT-UHFFFAOYSA-N
MW139.17 g/mol
LogP1.97
Rot. Bonds1

About 3-ethyl-2-fluoroaniline

3-ethyl-2-fluoroaniline (PubChem CID 67071898) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is 3-ethyl-2-fluoroaniline.

Molecular Properties

Compound Name3-ethyl-2-fluoroaniline
PubChem CID67071898
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name3-ethyl-2-fluoroaniline
SMILESCCc1cccc(N)c1F
InChIInChI=1S/C8H10FN/c1-2-6-4-3-5-7(10)8(6)9/h3-5H,2,10H2,1H3
InChIKeyRFUISRVSHVPCKT-UHFFFAOYSA-N
XLogP1.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 51.97
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-ethyl-2-fluoroaniline?
The IUPAC name of 3-ethyl-2-fluoroaniline (CID 67071898) is 3-ethyl-2-fluoroaniline.
What is the SMILES notation for 3-ethyl-2-fluoroaniline?
The canonical SMILES for 3-ethyl-2-fluoroaniline is CCc1cccc(N)c1F.
What is the InChIKey of 3-ethyl-2-fluoroaniline?
The InChIKey is RFUISRVSHVPCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN/c1-2-6-4-3-5-7(10)8(6)9/h3-5H,2,10H2,1H3.
What are the key properties of 3-ethyl-2-fluoroaniline?
3-ethyl-2-fluoroaniline has a molecular weight of 139.17 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-fluoroaniline is sourced from PubChem (CID 67071898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).