2-(3-fluorocyclopenta-2,4-dien-1-yl)propan-2-amine

C8H12FN — CID 134320247

IUPAC2-(3-fluorocyclopenta-2,4-dien-1-yl)propan-2-amine
SMILESCC(C)(N)C1C=CC(F)=C1
InChIInChI=1S/C8H12FN/c1-8(2,10)6-3-4-7(9)5-6/h3-6H,10H2,1-2H3
InChIKeyWTSMLGIDZSSEGR-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.76
Rot. Bonds1

About 2-(3-fluorocyclopenta-2,4-dien-1-yl)propan-2-amine

2-(3-fluorocyclopenta-2,4-dien-1-yl)propan-2-amine (PubChem CID 134320247) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 2-(3-fluorocyclopenta-2,4-dien-1-yl)propan-2-amine.

Molecular Properties

Compound Name2-(3-fluorocyclopenta-2,4-dien-1-yl)propan-2-amine
PubChem CID134320247
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name2-(3-fluorocyclopenta-2,4-dien-1-yl)propan-2-amine
SMILESCC(C)(N)C1C=CC(F)=C1
InChIInChI=1S/C8H12FN/c1-8(2,10)6-3-4-7(9)5-6/h3-6H,10H2,1-2H3
InChIKeyWTSMLGIDZSSEGR-UHFFFAOYSA-N
XLogP1.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorocyclopenta-2,4-dien-1-yl)propan-2-amine?
The IUPAC name of 2-(3-fluorocyclopenta-2,4-dien-1-yl)propan-2-amine (CID 134320247) is 2-(3-fluorocyclopenta-2,4-dien-1-yl)propan-2-amine.
What is the SMILES notation for 2-(3-fluorocyclopenta-2,4-dien-1-yl)propan-2-amine?
The canonical SMILES for 2-(3-fluorocyclopenta-2,4-dien-1-yl)propan-2-amine is CC(C)(N)C1C=CC(F)=C1.
What is the InChIKey of 2-(3-fluorocyclopenta-2,4-dien-1-yl)propan-2-amine?
The InChIKey is WTSMLGIDZSSEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-8(2,10)6-3-4-7(9)5-6/h3-6H,10H2,1-2H3.
What are the key properties of 2-(3-fluorocyclopenta-2,4-dien-1-yl)propan-2-amine?
2-(3-fluorocyclopenta-2,4-dien-1-yl)propan-2-amine has a molecular weight of 141.19 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorocyclopenta-2,4-dien-1-yl)propan-2-amine is sourced from PubChem (CID 134320247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).