(3,4-difluorophenyl)-(furan-3-yl)methanamine

C11H9F2NO — CID 43464166

IUPAC(3,4-difluorophenyl)-(furan-3-yl)methanamine
SMILESNC(c1ccoc1)c1ccc(F)c(F)c1
InChIInChI=1S/C11H9F2NO/c12-9-2-1-7(5-10(9)13)11(14)8-3-4-15-6-8/h1-6,11H,14H2
InChIKeyQBPUFLPMUQOTAE-UHFFFAOYSA-N
MW209.20 g/mol
LogP2.61
Rot. Bonds2

About (3,4-difluorophenyl)-(furan-3-yl)methanamine

(3,4-difluorophenyl)-(furan-3-yl)methanamine (PubChem CID 43464166) has the molecular formula C11H9F2NO and a molecular weight of 209.20 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(furan-3-yl)methanamine.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(furan-3-yl)methanamine
PubChem CID43464166
Molecular FormulaC11H9F2NO
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name(3,4-difluorophenyl)-(furan-3-yl)methanamine
SMILESNC(c1ccoc1)c1ccc(F)c(F)c1
InChIInChI=1S/C11H9F2NO/c12-9-2-1-7(5-10(9)13)11(14)8-3-4-15-6-8/h1-6,11H,14H2
InChIKeyQBPUFLPMUQOTAE-UHFFFAOYSA-N
XLogP2.61
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Furan-2-yl)-3-(p-tolyl)propan-1-amine
CID 2771861
3-(furan-2-yl)-4-phenyl-N-(1-phenylethyl)butan-1-amine
CID 2954718
3-Furan-2-yl-3-phenyl-propylamine
CID 3149175
(4-Fluoro-benzyl)-(3-furan-2-yl-4-phenyl-butyl)-amine
CID 3751836
1-(4-Methoxyphenyl)-3-(5-methyl-2-furyl)propylamine
CID 6602911
1-(1-Benzofuran-3-yl)methanamine
CID 23504847
4,5,6,7-Tetrahydro-1-benzofuran-4-amine
CID 18525171
3-(2-Furyl)-1-(4-methoxyphenyl)propylamine
CID 6603530
3-(4-fluorophenyl)-3-(furan-2-yl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 145971527
3-(Furan-2-yl)-4-phenylbutan-1-amine
CID 2771863
1-(2-Furyl)-1-phenylmethanamine
CID 3144389
1-(4-Methoxyphenyl)-3-(5-methyl-2-furyl)-1-propanamine
CID 3239111

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(furan-3-yl)methanamine?
The IUPAC name of (3,4-difluorophenyl)-(furan-3-yl)methanamine (CID 43464166) is (3,4-difluorophenyl)-(furan-3-yl)methanamine.
What is the SMILES notation for (3,4-difluorophenyl)-(furan-3-yl)methanamine?
The canonical SMILES for (3,4-difluorophenyl)-(furan-3-yl)methanamine is NC(c1ccoc1)c1ccc(F)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl)-(furan-3-yl)methanamine?
The InChIKey is QBPUFLPMUQOTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO/c12-9-2-1-7(5-10(9)13)11(14)8-3-4-15-6-8/h1-6,11H,14H2.
What are the key properties of (3,4-difluorophenyl)-(furan-3-yl)methanamine?
(3,4-difluorophenyl)-(furan-3-yl)methanamine has a molecular weight of 209.20 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(furan-3-yl)methanamine is sourced from PubChem (CID 43464166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).