2-fluoro-5-(oxan-2-yloxymethyl)thiophene-3-carbonitrile

C11H12FNO2S — CID 163226022

IUPAC2-fluoro-5-(oxan-2-yloxymethyl)thiophene-3-carbonitrile
SMILESN#Cc1cc(COC2CCCCO2)sc1F
InChIInChI=1S/C11H12FNO2S/c12-11-8(6-13)5-9(16-11)7-15-10-3-1-2-4-14-10/h5,10H,1-4,7H2
InChIKeyDFTPMBLNMRLQQX-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.80
Rot. Bonds3

About 2-fluoro-5-(oxan-2-yloxymethyl)thiophene-3-carbonitrile

2-fluoro-5-(oxan-2-yloxymethyl)thiophene-3-carbonitrile (PubChem CID 163226022) has the molecular formula C11H12FNO2S and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-fluoro-5-(oxan-2-yloxymethyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-fluoro-5-(oxan-2-yloxymethyl)thiophene-3-carbonitrile
PubChem CID163226022
Molecular FormulaC11H12FNO2S
Molecular Weight241.29 g/mol
Exact Mass241.06
IUPAC Name2-fluoro-5-(oxan-2-yloxymethyl)thiophene-3-carbonitrile
SMILESN#Cc1cc(COC2CCCCO2)sc1F
InChIInChI=1S/C11H12FNO2S/c12-11-8(6-13)5-9(16-11)7-15-10-3-1-2-4-14-10/h5,10H,1-4,7H2
InChIKeyDFTPMBLNMRLQQX-UHFFFAOYSA-N
XLogP2.80
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(oxan-2-yloxymethyl)thiophene-3-carbonitrile?
The IUPAC name of 2-fluoro-5-(oxan-2-yloxymethyl)thiophene-3-carbonitrile (CID 163226022) is 2-fluoro-5-(oxan-2-yloxymethyl)thiophene-3-carbonitrile.
What is the SMILES notation for 2-fluoro-5-(oxan-2-yloxymethyl)thiophene-3-carbonitrile?
The canonical SMILES for 2-fluoro-5-(oxan-2-yloxymethyl)thiophene-3-carbonitrile is N#Cc1cc(COC2CCCCO2)sc1F.
What is the InChIKey of 2-fluoro-5-(oxan-2-yloxymethyl)thiophene-3-carbonitrile?
The InChIKey is DFTPMBLNMRLQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2S/c12-11-8(6-13)5-9(16-11)7-15-10-3-1-2-4-14-10/h5,10H,1-4,7H2.
What are the key properties of 2-fluoro-5-(oxan-2-yloxymethyl)thiophene-3-carbonitrile?
2-fluoro-5-(oxan-2-yloxymethyl)thiophene-3-carbonitrile has a molecular weight of 241.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(oxan-2-yloxymethyl)thiophene-3-carbonitrile is sourced from PubChem (CID 163226022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).