2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)butan-1-amine

C9H15F2NO — CID 89205781

IUPAC2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)butan-1-amine
SMILESCCC(F)(F)C(N)C1CC=C(C)O1
InChIInChI=1S/C9H15F2NO/c1-3-9(10,11)8(12)7-5-4-6(2)13-7/h4,7-8H,3,5,12H2,1-2H3
InChIKeyIRWRYFMRMZVIFI-UHFFFAOYSA-N
MW191.22 g/mol
LogP2.05
Rot. Bonds3

About 2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)butan-1-amine

2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)butan-1-amine (PubChem CID 89205781) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)butan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)butan-1-amine
PubChem CID89205781
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)butan-1-amine
SMILESCCC(F)(F)C(N)C1CC=C(C)O1
InChIInChI=1S/C9H15F2NO/c1-3-9(10,11)8(12)7-5-4-6(2)13-7/h4,7-8H,3,5,12H2,1-2H3
InChIKeyIRWRYFMRMZVIFI-UHFFFAOYSA-N
XLogP2.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)butan-1-amine?
The IUPAC name of 2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)butan-1-amine (CID 89205781) is 2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)butan-1-amine.
What is the SMILES notation for 2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)butan-1-amine?
The canonical SMILES for 2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)butan-1-amine is CCC(F)(F)C(N)C1CC=C(C)O1.
What is the InChIKey of 2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)butan-1-amine?
The InChIKey is IRWRYFMRMZVIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-3-9(10,11)8(12)7-5-4-6(2)13-7/h4,7-8H,3,5,12H2,1-2H3.
What are the key properties of 2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)butan-1-amine?
2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)butan-1-amine has a molecular weight of 191.22 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)butan-1-amine is sourced from PubChem (CID 89205781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).