3-[1-(1-fluoroethyl)cyclopropyl]aniline

C11H14FN — CID 84718251

IUPAC3-[1-(1-fluoroethyl)cyclopropyl]aniline
SMILESCC(F)C1(c2cccc(N)c2)CC1
InChIInChI=1S/C11H14FN/c1-8(12)11(5-6-11)9-3-2-4-10(13)7-9/h2-4,7-8H,5-6,13H2,1H3
InChIKeyJQPGCKYRUYKBOI-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.66
Rot. Bonds2

About 3-[1-(1-fluoroethyl)cyclopropyl]aniline

3-[1-(1-fluoroethyl)cyclopropyl]aniline (PubChem CID 84718251) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 3-[1-(1-fluoroethyl)cyclopropyl]aniline.

Molecular Properties

Compound Name3-[1-(1-fluoroethyl)cyclopropyl]aniline
PubChem CID84718251
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name3-[1-(1-fluoroethyl)cyclopropyl]aniline
SMILESCC(F)C1(c2cccc(N)c2)CC1
InChIInChI=1S/C11H14FN/c1-8(12)11(5-6-11)9-3-2-4-10(13)7-9/h2-4,7-8H,5-6,13H2,1H3
InChIKeyJQPGCKYRUYKBOI-UHFFFAOYSA-N
XLogP2.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.66
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-[1-(1-fluoroethyl)cyclopropyl]aniline?
The IUPAC name of 3-[1-(1-fluoroethyl)cyclopropyl]aniline (CID 84718251) is 3-[1-(1-fluoroethyl)cyclopropyl]aniline.
What is the SMILES notation for 3-[1-(1-fluoroethyl)cyclopropyl]aniline?
The canonical SMILES for 3-[1-(1-fluoroethyl)cyclopropyl]aniline is CC(F)C1(c2cccc(N)c2)CC1.
What is the InChIKey of 3-[1-(1-fluoroethyl)cyclopropyl]aniline?
The InChIKey is JQPGCKYRUYKBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-8(12)11(5-6-11)9-3-2-4-10(13)7-9/h2-4,7-8H,5-6,13H2,1H3.
What are the key properties of 3-[1-(1-fluoroethyl)cyclopropyl]aniline?
3-[1-(1-fluoroethyl)cyclopropyl]aniline has a molecular weight of 179.24 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-fluoroethyl)cyclopropyl]aniline is sourced from PubChem (CID 84718251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).