5-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile

C11H13FN2O — CID 126787527

IUPAC5-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CN2CCCC2CF)o1
InChIInChI=1S/C11H13FN2O/c12-6-9-2-1-5-14(9)8-11-4-3-10(7-13)15-11/h3-4,9H,1-2,5-6,8H2
InChIKeyIVHBFZKMUKYSSR-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.09
Rot. Bonds3

About 5-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile

5-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile (PubChem CID 126787527) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 5-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile
PubChem CID126787527
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name5-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CN2CCCC2CF)o1
InChIInChI=1S/C11H13FN2O/c12-6-9-2-1-5-14(9)8-11-4-3-10(7-13)15-11/h3-4,9H,1-2,5-6,8H2
InChIKeyIVHBFZKMUKYSSR-UHFFFAOYSA-N
XLogP2.09
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile
CID 103881856
methyl (2S,3S)-1-[(5-cyanofuran-2-yl)methyl]-3-hydroxypiperidine-2-carboxylate
CID 99826384
5-(fluoromethyl)furan-2-carbonitrile
CID 89079979
[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 82505300
5-[1-[(5-cyanofuran-2-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129007322
1-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 115883125
5-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
CID 115312700
5-[[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 129487841
5-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]furan-2-carbonitrile
CID 97160353
[5-[(2-butylpyrrolidin-1-yl)methyl]furan-2-yl]methanol
CID 50981707
[5-[[(2R)-2-butylpyrrolidin-1-yl]methyl]furan-2-yl]methanol
CID 95144576
2-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61372306

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile (CID 126787527) is 5-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile is N#Cc1ccc(CN2CCCC2CF)o1.
What is the InChIKey of 5-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile?
The InChIKey is IVHBFZKMUKYSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c12-6-9-2-1-5-14(9)8-11-4-3-10(7-13)15-11/h3-4,9H,1-2,5-6,8H2.
What are the key properties of 5-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile?
5-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile has a molecular weight of 208.24 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile is sourced from PubChem (CID 126787527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).