2-amino-4-(3,4-difluorophenyl)-5-methylfuran-3-carbonitrile

C12H8F2N2O — CID 82475747

IUPAC2-amino-4-(3,4-difluorophenyl)-5-methylfuran-3-carbonitrile
SMILESCc1oc(N)c(C#N)c1-c1ccc(F)c(F)c1
InChIInChI=1S/C12H8F2N2O/c1-6-11(8(5-15)12(16)17-6)7-2-3-9(13)10(14)4-7/h2-4H,16H2,1H3
InChIKeySLUQIUZRYSGNGF-UHFFFAOYSA-N
MW234.21 g/mol
LogP2.99
Rot. Bonds1

About 2-amino-4-(3,4-difluorophenyl)-5-methylfuran-3-carbonitrile

2-amino-4-(3,4-difluorophenyl)-5-methylfuran-3-carbonitrile (PubChem CID 82475747) has the molecular formula C12H8F2N2O and a molecular weight of 234.21 g/mol. Its IUPAC name is 2-amino-4-(3,4-difluorophenyl)-5-methylfuran-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3,4-difluorophenyl)-5-methylfuran-3-carbonitrile
PubChem CID82475747
Molecular FormulaC12H8F2N2O
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name2-amino-4-(3,4-difluorophenyl)-5-methylfuran-3-carbonitrile
SMILESCc1oc(N)c(C#N)c1-c1ccc(F)c(F)c1
InChIInChI=1S/C12H8F2N2O/c1-6-11(8(5-15)12(16)17-6)7-2-3-9(13)10(14)4-7/h2-4H,16H2,1H3
InChIKeySLUQIUZRYSGNGF-UHFFFAOYSA-N
XLogP2.99
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-methyl-4-(4-methylsulfanylphenyl)furan-3-carbonitrile
CID 82478583
2-amino-4-(2,4-difluorophenyl)-5-methylfuran-3-carbonitrile
CID 82475748
2-amino-5-methyl-4-[4-(2-methylpropoxy)phenyl]furan-3-carbonitrile
CID 96667603
6-(3,4-difluorophenyl)-4-methylsulfanyl-2-oxopyran-3-carbonitrile
CID 15514782
2-amino-4-fluoro-7-methyl-1-benzofuran-3-carbonitrile
CID 170571792
2,6-difluoro-4-(4-methylphenyl)benzonitrile
CID 20714839
4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole
CID 90732795
2-amino-4-(4-methoxy-2,5-dimethylphenyl)-5-methylfuran-3-carbonitrile
CID 82482561
1-(3,4-difluorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene
CID 118595772
2-amino-5-methyl-4-(2-methyl-1H-indol-3-yl)furan-3-carbonitrile
CID 82481204
2-amino-4-fluoro-7-propan-2-yl-1-benzofuran-3-carbonitrile
CID 162743144
2-amino-4-(3-fluoro-4-propan-2-yloxyphenyl)furan-3-carbonitrile
CID 82484359

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,4-difluorophenyl)-5-methylfuran-3-carbonitrile?
The IUPAC name of 2-amino-4-(3,4-difluorophenyl)-5-methylfuran-3-carbonitrile (CID 82475747) is 2-amino-4-(3,4-difluorophenyl)-5-methylfuran-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3,4-difluorophenyl)-5-methylfuran-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3,4-difluorophenyl)-5-methylfuran-3-carbonitrile is Cc1oc(N)c(C#N)c1-c1ccc(F)c(F)c1.
What is the InChIKey of 2-amino-4-(3,4-difluorophenyl)-5-methylfuran-3-carbonitrile?
The InChIKey is SLUQIUZRYSGNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O/c1-6-11(8(5-15)12(16)17-6)7-2-3-9(13)10(14)4-7/h2-4H,16H2,1H3.
What are the key properties of 2-amino-4-(3,4-difluorophenyl)-5-methylfuran-3-carbonitrile?
2-amino-4-(3,4-difluorophenyl)-5-methylfuran-3-carbonitrile has a molecular weight of 234.21 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,4-difluorophenyl)-5-methylfuran-3-carbonitrile is sourced from PubChem (CID 82475747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).