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

C9H14FNO — CID 130538845

IUPAC4-fluoro-4-(furan-3-yl)-2-methylbutan-2-amine
SMILESCC(C)(N)CC(F)c1ccoc1
InChIInChI=1S/C9H14FNO/c1-9(2,11)5-8(10)7-3-4-12-6-7/h3-4,6,8H,5,11H2,1-2H3
InChIKeyXCHYFRWHEOLQFJ-UHFFFAOYSA-N
MW171.22 g/mol
LogP2.42
Rot. Bonds3

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

4-fluoro-4-(furan-3-yl)-2-methylbutan-2-amine (PubChem CID 130538845) has the molecular formula C9H14FNO and a molecular weight of 171.22 g/mol. Its IUPAC name is 4-fluoro-4-(furan-3-yl)-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-fluoro-4-(furan-3-yl)-2-methylbutan-2-amine
PubChem CID130538845
Molecular FormulaC9H14FNO
Molecular Weight171.22 g/mol
Exact Mass171.11
IUPAC Name4-fluoro-4-(furan-3-yl)-2-methylbutan-2-amine
SMILESCC(C)(N)CC(F)c1ccoc1
InChIInChI=1S/C9H14FNO/c1-9(2,11)5-8(10)7-3-4-12-6-7/h3-4,6,8H,5,11H2,1-2H3
InChIKeyXCHYFRWHEOLQFJ-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(furan-3-yl)-2-methylbutan-2-amine?
The IUPAC name of 4-fluoro-4-(furan-3-yl)-2-methylbutan-2-amine (CID 130538845) is 4-fluoro-4-(furan-3-yl)-2-methylbutan-2-amine.
What is the SMILES notation for 4-fluoro-4-(furan-3-yl)-2-methylbutan-2-amine?
The canonical SMILES for 4-fluoro-4-(furan-3-yl)-2-methylbutan-2-amine is CC(C)(N)CC(F)c1ccoc1.
What is the InChIKey of 4-fluoro-4-(furan-3-yl)-2-methylbutan-2-amine?
The InChIKey is XCHYFRWHEOLQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c1-9(2,11)5-8(10)7-3-4-12-6-7/h3-4,6,8H,5,11H2,1-2H3.
What are the key properties of 4-fluoro-4-(furan-3-yl)-2-methylbutan-2-amine?
4-fluoro-4-(furan-3-yl)-2-methylbutan-2-amine has a molecular weight of 171.22 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(furan-3-yl)-2-methylbutan-2-amine is sourced from PubChem (CID 130538845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).