2-cyclopropyl-2-fluoro-2-(furan-3-yl)ethanamine

C9H12FNO — CID 112567046

IUPAC2-cyclopropyl-2-fluoro-2-(furan-3-yl)ethanamine
SMILESNCC(F)(c1ccoc1)C1CC1
InChIInChI=1S/C9H12FNO/c10-9(6-11,7-1-2-7)8-3-4-12-5-8/h3-5,7H,1-2,6,11H2
InChIKeyBCQYLCMCBOSNFC-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.81
Rot. Bonds3

About 2-cyclopropyl-2-fluoro-2-(furan-3-yl)ethanamine

2-cyclopropyl-2-fluoro-2-(furan-3-yl)ethanamine (PubChem CID 112567046) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 2-cyclopropyl-2-fluoro-2-(furan-3-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-2-fluoro-2-(furan-3-yl)ethanamine
PubChem CID112567046
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name2-cyclopropyl-2-fluoro-2-(furan-3-yl)ethanamine
SMILESNCC(F)(c1ccoc1)C1CC1
InChIInChI=1S/C9H12FNO/c10-9(6-11,7-1-2-7)8-3-4-12-5-8/h3-5,7H,1-2,6,11H2
InChIKeyBCQYLCMCBOSNFC-UHFFFAOYSA-N
XLogP1.81
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-fluoro-2-(furan-3-yl)ethanamine?
The IUPAC name of 2-cyclopropyl-2-fluoro-2-(furan-3-yl)ethanamine (CID 112567046) is 2-cyclopropyl-2-fluoro-2-(furan-3-yl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-2-fluoro-2-(furan-3-yl)ethanamine?
The canonical SMILES for 2-cyclopropyl-2-fluoro-2-(furan-3-yl)ethanamine is NCC(F)(c1ccoc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-fluoro-2-(furan-3-yl)ethanamine?
The InChIKey is BCQYLCMCBOSNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c10-9(6-11,7-1-2-7)8-3-4-12-5-8/h3-5,7H,1-2,6,11H2.
What are the key properties of 2-cyclopropyl-2-fluoro-2-(furan-3-yl)ethanamine?
2-cyclopropyl-2-fluoro-2-(furan-3-yl)ethanamine has a molecular weight of 169.20 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-fluoro-2-(furan-3-yl)ethanamine is sourced from PubChem (CID 112567046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).