3-(2,3-dihydrofuran-5-yl)-3-fluorobutan-2-amine

C8H14FNO — CID 126983018

IUPAC3-(2,3-dihydrofuran-5-yl)-3-fluorobutan-2-amine
SMILESCC(N)C(C)(F)C1=CCCO1
InChIInChI=1S/C8H14FNO/c1-6(10)8(2,9)7-4-3-5-11-7/h4,6H,3,5,10H2,1-2H3
InChIKeyVNKZHRKYDMAWLP-UHFFFAOYSA-N
MW159.20 g/mol
LogP1.37
Rot. Bonds2

About 3-(2,3-dihydrofuran-5-yl)-3-fluorobutan-2-amine

3-(2,3-dihydrofuran-5-yl)-3-fluorobutan-2-amine (PubChem CID 126983018) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 3-(2,3-dihydrofuran-5-yl)-3-fluorobutan-2-amine.

Molecular Properties

Compound Name3-(2,3-dihydrofuran-5-yl)-3-fluorobutan-2-amine
PubChem CID126983018
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name3-(2,3-dihydrofuran-5-yl)-3-fluorobutan-2-amine
SMILESCC(N)C(C)(F)C1=CCCO1
InChIInChI=1S/C8H14FNO/c1-6(10)8(2,9)7-4-3-5-11-7/h4,6H,3,5,10H2,1-2H3
InChIKeyVNKZHRKYDMAWLP-UHFFFAOYSA-N
XLogP1.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydrofuran-5-yl)-3-fluorobutan-2-amine?
The IUPAC name of 3-(2,3-dihydrofuran-5-yl)-3-fluorobutan-2-amine (CID 126983018) is 3-(2,3-dihydrofuran-5-yl)-3-fluorobutan-2-amine.
What is the SMILES notation for 3-(2,3-dihydrofuran-5-yl)-3-fluorobutan-2-amine?
The canonical SMILES for 3-(2,3-dihydrofuran-5-yl)-3-fluorobutan-2-amine is CC(N)C(C)(F)C1=CCCO1.
What is the InChIKey of 3-(2,3-dihydrofuran-5-yl)-3-fluorobutan-2-amine?
The InChIKey is VNKZHRKYDMAWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-6(10)8(2,9)7-4-3-5-11-7/h4,6H,3,5,10H2,1-2H3.
What are the key properties of 3-(2,3-dihydrofuran-5-yl)-3-fluorobutan-2-amine?
3-(2,3-dihydrofuran-5-yl)-3-fluorobutan-2-amine has a molecular weight of 159.20 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydrofuran-5-yl)-3-fluorobutan-2-amine is sourced from PubChem (CID 126983018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).