3-fluoro-4-(furan-3-yl)-2-methylbutan-2-amine

C9H14FNO — CID 130589490

IUPAC3-fluoro-4-(furan-3-yl)-2-methylbutan-2-amine
SMILESCC(C)(N)C(F)Cc1ccoc1
InChIInChI=1S/C9H14FNO/c1-9(2,11)8(10)5-7-3-4-12-6-7/h3-4,6,8H,5,11H2,1-2H3
InChIKeyAMQYPDKGYMYZQR-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.90
Rot. Bonds3

About 3-fluoro-4-(furan-3-yl)-2-methylbutan-2-amine

3-fluoro-4-(furan-3-yl)-2-methylbutan-2-amine (PubChem CID 130589490) has the molecular formula C9H14FNO and a molecular weight of 171.22 g/mol. Its IUPAC name is 3-fluoro-4-(furan-3-yl)-2-methylbutan-2-amine.

Molecular Properties

Compound Name3-fluoro-4-(furan-3-yl)-2-methylbutan-2-amine
PubChem CID130589490
Molecular FormulaC9H14FNO
Molecular Weight171.22 g/mol
Exact Mass171.11
IUPAC Name3-fluoro-4-(furan-3-yl)-2-methylbutan-2-amine
SMILESCC(C)(N)C(F)Cc1ccoc1
InChIInChI=1S/C9H14FNO/c1-9(2,11)8(10)5-7-3-4-12-6-7/h3-4,6,8H,5,11H2,1-2H3
InChIKeyAMQYPDKGYMYZQR-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(furan-3-yl)-2-methylbutan-2-amine?
The IUPAC name of 3-fluoro-4-(furan-3-yl)-2-methylbutan-2-amine (CID 130589490) is 3-fluoro-4-(furan-3-yl)-2-methylbutan-2-amine.
What is the SMILES notation for 3-fluoro-4-(furan-3-yl)-2-methylbutan-2-amine?
The canonical SMILES for 3-fluoro-4-(furan-3-yl)-2-methylbutan-2-amine is CC(C)(N)C(F)Cc1ccoc1.
What is the InChIKey of 3-fluoro-4-(furan-3-yl)-2-methylbutan-2-amine?
The InChIKey is AMQYPDKGYMYZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c1-9(2,11)8(10)5-7-3-4-12-6-7/h3-4,6,8H,5,11H2,1-2H3.
What are the key properties of 3-fluoro-4-(furan-3-yl)-2-methylbutan-2-amine?
3-fluoro-4-(furan-3-yl)-2-methylbutan-2-amine has a molecular weight of 171.22 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(furan-3-yl)-2-methylbutan-2-amine is sourced from PubChem (CID 130589490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).