2-fluoro-2-(furan-3-yl)-3-methylbutan-1-amine

C9H14FNO — CID 112566731

IUPAC2-fluoro-2-(furan-3-yl)-3-methylbutan-1-amine
SMILESCC(C)C(F)(CN)c1ccoc1
InChIInChI=1S/C9H14FNO/c1-7(2)9(10,6-11)8-3-4-12-5-8/h3-5,7H,6,11H2,1-2H3
InChIKeyXJSJLBJDGSMARF-UHFFFAOYSA-N
MW171.22 g/mol
LogP2.06
Rot. Bonds3

About 2-fluoro-2-(furan-3-yl)-3-methylbutan-1-amine

2-fluoro-2-(furan-3-yl)-3-methylbutan-1-amine (PubChem CID 112566731) has the molecular formula C9H14FNO and a molecular weight of 171.22 g/mol. Its IUPAC name is 2-fluoro-2-(furan-3-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-(furan-3-yl)-3-methylbutan-1-amine
PubChem CID112566731
Molecular FormulaC9H14FNO
Molecular Weight171.22 g/mol
Exact Mass171.11
IUPAC Name2-fluoro-2-(furan-3-yl)-3-methylbutan-1-amine
SMILESCC(C)C(F)(CN)c1ccoc1
InChIInChI=1S/C9H14FNO/c1-7(2)9(10,6-11)8-3-4-12-5-8/h3-5,7H,6,11H2,1-2H3
InChIKeyXJSJLBJDGSMARF-UHFFFAOYSA-N
XLogP2.06
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(furan-3-yl)-3-methylbutan-1-amine?
The IUPAC name of 2-fluoro-2-(furan-3-yl)-3-methylbutan-1-amine (CID 112566731) is 2-fluoro-2-(furan-3-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-fluoro-2-(furan-3-yl)-3-methylbutan-1-amine?
The canonical SMILES for 2-fluoro-2-(furan-3-yl)-3-methylbutan-1-amine is CC(C)C(F)(CN)c1ccoc1.
What is the InChIKey of 2-fluoro-2-(furan-3-yl)-3-methylbutan-1-amine?
The InChIKey is XJSJLBJDGSMARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c1-7(2)9(10,6-11)8-3-4-12-5-8/h3-5,7H,6,11H2,1-2H3.
What are the key properties of 2-fluoro-2-(furan-3-yl)-3-methylbutan-1-amine?
2-fluoro-2-(furan-3-yl)-3-methylbutan-1-amine has a molecular weight of 171.22 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(furan-3-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 112566731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).