2-[(S)-cyano(thiophen-2-yl)methyl]-6-fluorobenzonitrile

C13H7FN2S — CID 6933760

IUPAC2-[(S)-cyano(thiophen-2-yl)methyl]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1[C@@H](C#N)c1cccs1
InChIInChI=1S/C13H7FN2S/c14-12-4-1-3-9(10(12)7-15)11(8-16)13-5-2-6-17-13/h1-6,11H/t11-/m1/s1
InChIKeyNXLQXFASJWXVQZ-LLVKDONJSA-N
MW242.28 g/mol
LogP3.41
Rot. Bonds2

About 2-[(S)-cyano(thiophen-2-yl)methyl]-6-fluorobenzonitrile

2-[(S)-cyano(thiophen-2-yl)methyl]-6-fluorobenzonitrile (PubChem CID 6933760) has the molecular formula C13H7FN2S and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[(S)-cyano(thiophen-2-yl)methyl]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(S)-cyano(thiophen-2-yl)methyl]-6-fluorobenzonitrile
PubChem CID6933760
Molecular FormulaC13H7FN2S
Molecular Weight242.28 g/mol
Exact Mass242.03
IUPAC Name2-[(S)-cyano(thiophen-2-yl)methyl]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1[C@@H](C#N)c1cccs1
InChIInChI=1S/C13H7FN2S/c14-12-4-1-3-9(10(12)7-15)11(8-16)13-5-2-6-17-13/h1-6,11H/t11-/m1/s1
InChIKeyNXLQXFASJWXVQZ-LLVKDONJSA-N
XLogP3.41
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(S)-cyano-(4-fluorophenyl)methyl]-6-fluorobenzonitrile
CID 6933606
2-fluoro-6-propan-2-ylbenzonitrile
CID 59589078
2-fluoro-6-(1-thiophen-2-ylethylamino)benzonitrile
CID 43399529
2-(1-cyanopropyl)-6-fluorobenzonitrile
CID 130134605
(2-fluorophenyl)-thiophen-2-ylmethanamine
CID 43186746
2-[(1R)-1-aminoprop-2-enyl]-6-fluorobenzonitrile
CID 55274364
2-(4-amino-2-chlorophenyl)-2-thiophen-2-ylacetonitrile
CID 21483195
(R)-(2,3-difluorophenyl)-thiophen-2-ylmethanamine
CID 94532686
methyl 2-cyano-2-(2-cyano-3-fluorophenyl)acetate
CID 146625013
2-fluoro-6-(1,3-thiazol-2-yl)benzonitrile
CID 118047234
2-(1-amino-2-oxopropyl)-6-fluorobenzonitrile
CID 55296124
1-(2-fluorophenyl)-N-(1-thiophen-2-ylpropyl)propan-1-amine
CID 112632384

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-cyano(thiophen-2-yl)methyl]-6-fluorobenzonitrile?
The IUPAC name of 2-[(S)-cyano(thiophen-2-yl)methyl]-6-fluorobenzonitrile (CID 6933760) is 2-[(S)-cyano(thiophen-2-yl)methyl]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[(S)-cyano(thiophen-2-yl)methyl]-6-fluorobenzonitrile?
The canonical SMILES for 2-[(S)-cyano(thiophen-2-yl)methyl]-6-fluorobenzonitrile is N#Cc1c(F)cccc1[C@@H](C#N)c1cccs1.
What is the InChIKey of 2-[(S)-cyano(thiophen-2-yl)methyl]-6-fluorobenzonitrile?
The InChIKey is NXLQXFASJWXVQZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H7FN2S/c14-12-4-1-3-9(10(12)7-15)11(8-16)13-5-2-6-17-13/h1-6,11H/t11-/m1/s1.
What are the key properties of 2-[(S)-cyano(thiophen-2-yl)methyl]-6-fluorobenzonitrile?
2-[(S)-cyano(thiophen-2-yl)methyl]-6-fluorobenzonitrile has a molecular weight of 242.28 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-cyano(thiophen-2-yl)methyl]-6-fluorobenzonitrile is sourced from PubChem (CID 6933760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).