2-[(S)-cyano-(4-fluorophenyl)methyl]-6-fluorobenzonitrile

C15H8F2N2 — CID 6933606

IUPAC2-[(S)-cyano-(4-fluorophenyl)methyl]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1[C@@H](C#N)c1ccc(F)cc1
InChIInChI=1S/C15H8F2N2/c16-11-6-4-10(5-7-11)13(8-18)12-2-1-3-15(17)14(12)9-19/h1-7,13H/t13-/m0/s1
InChIKeyFRAYNJTZNABMLR-ZDUSSCGKSA-N
MW254.24 g/mol
LogP3.49
Rot. Bonds2

About 2-[(S)-cyano-(4-fluorophenyl)methyl]-6-fluorobenzonitrile

2-[(S)-cyano-(4-fluorophenyl)methyl]-6-fluorobenzonitrile (PubChem CID 6933606) has the molecular formula C15H8F2N2 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-[(S)-cyano-(4-fluorophenyl)methyl]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(S)-cyano-(4-fluorophenyl)methyl]-6-fluorobenzonitrile
PubChem CID6933606
Molecular FormulaC15H8F2N2
Molecular Weight254.24 g/mol
Exact Mass254.07
IUPAC Name2-[(S)-cyano-(4-fluorophenyl)methyl]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1[C@@H](C#N)c1ccc(F)cc1
InChIInChI=1S/C15H8F2N2/c16-11-6-4-10(5-7-11)13(8-18)12-2-1-3-15(17)14(12)9-19/h1-7,13H/t13-/m0/s1
InChIKeyFRAYNJTZNABMLR-ZDUSSCGKSA-N
XLogP3.49
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(S)-cyano(thiophen-2-yl)methyl]-6-fluorobenzonitrile
CID 6933760
2-fluoro-6-propan-2-ylbenzonitrile
CID 59589078
(2S)-2-(4-chlorophenyl)-2-(4-fluorophenyl)acetonitrile
CID 129390473
2-(1-cyanopropyl)-6-fluorobenzonitrile
CID 130134605
(2S)-2-(2-benzoylphenyl)-2-(4-fluorophenyl)acetonitrile
CID 97170461
2-(4-fluorophenyl)-2-(2,3,5,6-tetrafluorophenyl)acetonitrile
CID 122231539
2-[(1R)-1-aminoprop-2-enyl]-6-fluorobenzonitrile
CID 55274364
methyl 2-cyano-2-(2-cyano-3-fluorophenyl)acetate
CID 146625013
2-(1-amino-2-oxopropyl)-6-fluorobenzonitrile
CID 55296124
2-(difluoromethoxy)-6-fluorobenzonitrile
CID 23448361
2-fluoro-6-(4-propan-2-ylphenoxy)benzonitrile
CID 79513583
3-(2-fluorophenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 43334238

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-cyano-(4-fluorophenyl)methyl]-6-fluorobenzonitrile?
The IUPAC name of 2-[(S)-cyano-(4-fluorophenyl)methyl]-6-fluorobenzonitrile (CID 6933606) is 2-[(S)-cyano-(4-fluorophenyl)methyl]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[(S)-cyano-(4-fluorophenyl)methyl]-6-fluorobenzonitrile?
The canonical SMILES for 2-[(S)-cyano-(4-fluorophenyl)methyl]-6-fluorobenzonitrile is N#Cc1c(F)cccc1[C@@H](C#N)c1ccc(F)cc1.
What is the InChIKey of 2-[(S)-cyano-(4-fluorophenyl)methyl]-6-fluorobenzonitrile?
The InChIKey is FRAYNJTZNABMLR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H8F2N2/c16-11-6-4-10(5-7-11)13(8-18)12-2-1-3-15(17)14(12)9-19/h1-7,13H/t13-/m0/s1.
What are the key properties of 2-[(S)-cyano-(4-fluorophenyl)methyl]-6-fluorobenzonitrile?
2-[(S)-cyano-(4-fluorophenyl)methyl]-6-fluorobenzonitrile has a molecular weight of 254.24 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-cyano-(4-fluorophenyl)methyl]-6-fluorobenzonitrile is sourced from PubChem (CID 6933606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).