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

C8H11F2NO — CID 103517029

IUPAC1,1-difluoro-3-(furan-2-yl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccco1)C(F)F
InChIInChI=1S/C8H11F2NO/c1-11-7(8(9)10)5-6-3-2-4-12-6/h2-4,7-8,11H,5H2,1H3
InChIKeyKIYCOILIJSCCST-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.68
Rot. Bonds4

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

1,1-difluoro-3-(furan-2-yl)-N-methylpropan-2-amine (PubChem CID 103517029) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is 1,1-difluoro-3-(furan-2-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-3-(furan-2-yl)-N-methylpropan-2-amine
PubChem CID103517029
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name1,1-difluoro-3-(furan-2-yl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccco1)C(F)F
InChIInChI=1S/C8H11F2NO/c1-11-7(8(9)10)5-6-3-2-4-12-6/h2-4,7-8,11H,5H2,1H3
InChIKeyKIYCOILIJSCCST-UHFFFAOYSA-N
XLogP1.68
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1-difluoro-3-(furan-2-yl)-N-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-1-(furan-2-yl)-N-methylpentan-2-amine
CID 105029464
1-fluoro-3-(furan-2-yl)-N-methylpropan-2-amine
CID 129254297
3-ethyl-1-(furan-2-yl)-N-methylheptan-2-amine
CID 105029282
4,4,4-trifluoro-1-(furan-2-yl)-N-methylbutan-2-amine
CID 83175606
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
1-(furan-2-yl)-N-methyl-3-phenylpropan-2-amine
CID 83175691
1-cyclohexyl-1-ethoxy-3-(furan-2-yl)-N-methylpropan-2-amine
CID 116772218
3-(furan-2-yl)-N-methyl-2-(2-methylphenyl)propan-1-amine
CID 79420846
1-cycloheptyl-2-(furan-2-yl)-N-methylethanamine
CID 83175244
2-(2-ethylbutyl)furan
CID 68844643
1-(furan-2-yl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine
CID 83175258
4-(furan-2-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 83182874

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(furan-2-yl)-N-methylpropan-2-amine?
The IUPAC name of 1,1-difluoro-3-(furan-2-yl)-N-methylpropan-2-amine (CID 103517029) is 1,1-difluoro-3-(furan-2-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1,1-difluoro-3-(furan-2-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1,1-difluoro-3-(furan-2-yl)-N-methylpropan-2-amine is CNC(Cc1ccco1)C(F)F.
What is the InChIKey of 1,1-difluoro-3-(furan-2-yl)-N-methylpropan-2-amine?
The InChIKey is KIYCOILIJSCCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO/c1-11-7(8(9)10)5-6-3-2-4-12-6/h2-4,7-8,11H,5H2,1H3.
What are the key properties of 1,1-difluoro-3-(furan-2-yl)-N-methylpropan-2-amine?
1,1-difluoro-3-(furan-2-yl)-N-methylpropan-2-amine has a molecular weight of 175.18 g/mol, XLogP of 1.68, 4 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)-N-methylpropan-2-amine is sourced from PubChem (CID 103517029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).