3-(2-fluoroethoxy)-4-prop-1-enylaniline

C11H14FNO — CID 90978470

IUPAC3-(2-fluoroethoxy)-4-prop-1-enylaniline
SMILESCC=Cc1ccc(N)cc1OCCF
InChIInChI=1S/C11H14FNO/c1-2-3-9-4-5-10(13)8-11(9)14-7-6-12/h2-5,8H,6-7,13H2,1H3
InChIKeyNVBMPOFEYXDEIL-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.65
Rot. Bonds4

About 3-(2-fluoroethoxy)-4-prop-1-enylaniline

3-(2-fluoroethoxy)-4-prop-1-enylaniline (PubChem CID 90978470) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-(2-fluoroethoxy)-4-prop-1-enylaniline.

Molecular Properties

Compound Name3-(2-fluoroethoxy)-4-prop-1-enylaniline
PubChem CID90978470
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name3-(2-fluoroethoxy)-4-prop-1-enylaniline
SMILESCC=Cc1ccc(N)cc1OCCF
InChIInChI=1S/C11H14FNO/c1-2-3-9-4-5-10(13)8-11(9)14-7-6-12/h2-5,8H,6-7,13H2,1H3
InChIKeyNVBMPOFEYXDEIL-UHFFFAOYSA-N
XLogP2.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-fluoroethoxy)-4-prop-1-enylaniline?
The IUPAC name of 3-(2-fluoroethoxy)-4-prop-1-enylaniline (CID 90978470) is 3-(2-fluoroethoxy)-4-prop-1-enylaniline.
What is the SMILES notation for 3-(2-fluoroethoxy)-4-prop-1-enylaniline?
The canonical SMILES for 3-(2-fluoroethoxy)-4-prop-1-enylaniline is CC=Cc1ccc(N)cc1OCCF.
What is the InChIKey of 3-(2-fluoroethoxy)-4-prop-1-enylaniline?
The InChIKey is NVBMPOFEYXDEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-2-3-9-4-5-10(13)8-11(9)14-7-6-12/h2-5,8H,6-7,13H2,1H3.
What are the key properties of 3-(2-fluoroethoxy)-4-prop-1-enylaniline?
3-(2-fluoroethoxy)-4-prop-1-enylaniline has a molecular weight of 195.24 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethoxy)-4-prop-1-enylaniline is sourced from PubChem (CID 90978470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).