3-fluoro-3-(furan-3-yl)butan-2-amine

C8H12FNO — CID 130574624

IUPAC3-fluoro-3-(furan-3-yl)butan-2-amine
SMILESCC(N)C(C)(F)c1ccoc1
InChIInChI=1S/C8H12FNO/c1-6(10)8(2,9)7-3-4-11-5-7/h3-6H,10H2,1-2H3
InChIKeyCTZQIAWKPGTPFM-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.81
Rot. Bonds2

About 3-fluoro-3-(furan-3-yl)butan-2-amine

3-fluoro-3-(furan-3-yl)butan-2-amine (PubChem CID 130574624) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is 3-fluoro-3-(furan-3-yl)butan-2-amine.

Molecular Properties

Compound Name3-fluoro-3-(furan-3-yl)butan-2-amine
PubChem CID130574624
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name3-fluoro-3-(furan-3-yl)butan-2-amine
SMILESCC(N)C(C)(F)c1ccoc1
InChIInChI=1S/C8H12FNO/c1-6(10)8(2,9)7-3-4-11-5-7/h3-6H,10H2,1-2H3
InChIKeyCTZQIAWKPGTPFM-UHFFFAOYSA-N
XLogP1.81
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(furan-3-yl)butan-2-amine?
The IUPAC name of 3-fluoro-3-(furan-3-yl)butan-2-amine (CID 130574624) is 3-fluoro-3-(furan-3-yl)butan-2-amine.
What is the SMILES notation for 3-fluoro-3-(furan-3-yl)butan-2-amine?
The canonical SMILES for 3-fluoro-3-(furan-3-yl)butan-2-amine is CC(N)C(C)(F)c1ccoc1.
What is the InChIKey of 3-fluoro-3-(furan-3-yl)butan-2-amine?
The InChIKey is CTZQIAWKPGTPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO/c1-6(10)8(2,9)7-3-4-11-5-7/h3-6H,10H2,1-2H3.
What are the key properties of 3-fluoro-3-(furan-3-yl)butan-2-amine?
3-fluoro-3-(furan-3-yl)butan-2-amine has a molecular weight of 157.19 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(furan-3-yl)butan-2-amine is sourced from PubChem (CID 130574624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).