1,1-difluoro-3-(furan-2-yl)-2-methyl-N-propylpropan-2-amine

C11H17F2NO — CID 80605188

IUPAC1,1-difluoro-3-(furan-2-yl)-2-methyl-N-propylpropan-2-amine
SMILESCCCNC(C)(Cc1ccco1)C(F)F
InChIInChI=1S/C11H17F2NO/c1-3-6-14-11(2,10(12)13)8-9-5-4-7-15-9/h4-5,7,10,14H,3,6,8H2,1-2H3
InChIKeyREDRREBBHGFYJM-UHFFFAOYSA-N
MW217.26 g/mol
LogP2.85
Rot. Bonds6

About 1,1-difluoro-3-(furan-2-yl)-2-methyl-N-propylpropan-2-amine

1,1-difluoro-3-(furan-2-yl)-2-methyl-N-propylpropan-2-amine (PubChem CID 80605188) has the molecular formula C11H17F2NO and a molecular weight of 217.26 g/mol. Its IUPAC name is 1,1-difluoro-3-(furan-2-yl)-2-methyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-3-(furan-2-yl)-2-methyl-N-propylpropan-2-amine
PubChem CID80605188
Molecular FormulaC11H17F2NO
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name1,1-difluoro-3-(furan-2-yl)-2-methyl-N-propylpropan-2-amine
SMILESCCCNC(C)(Cc1ccco1)C(F)F
InChIInChI=1S/C11H17F2NO/c1-3-6-14-11(2,10(12)13)8-9-5-4-7-15-9/h4-5,7,10,14H,3,6,8H2,1-2H3
InChIKeyREDRREBBHGFYJM-UHFFFAOYSA-N
XLogP2.85
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(furan-2-yl)-2-methyl-N-propylpropan-2-amine?
The IUPAC name of 1,1-difluoro-3-(furan-2-yl)-2-methyl-N-propylpropan-2-amine (CID 80605188) is 1,1-difluoro-3-(furan-2-yl)-2-methyl-N-propylpropan-2-amine.
What is the SMILES notation for 1,1-difluoro-3-(furan-2-yl)-2-methyl-N-propylpropan-2-amine?
The canonical SMILES for 1,1-difluoro-3-(furan-2-yl)-2-methyl-N-propylpropan-2-amine is CCCNC(C)(Cc1ccco1)C(F)F.
What is the InChIKey of 1,1-difluoro-3-(furan-2-yl)-2-methyl-N-propylpropan-2-amine?
The InChIKey is REDRREBBHGFYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO/c1-3-6-14-11(2,10(12)13)8-9-5-4-7-15-9/h4-5,7,10,14H,3,6,8H2,1-2H3.
What are the key properties of 1,1-difluoro-3-(furan-2-yl)-2-methyl-N-propylpropan-2-amine?
1,1-difluoro-3-(furan-2-yl)-2-methyl-N-propylpropan-2-amine has a molecular weight of 217.26 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(furan-2-yl)-2-methyl-N-propylpropan-2-amine is sourced from PubChem (CID 80605188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).