2-[[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]hydrazinylidene]propanedinitrile

C15H16FN5O — CID 169339007

IUPAC2-[[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(OCCN2CCCC2)c(F)c1
InChIInChI=1S/C15H16FN5O/c16-14-9-12(19-20-13(10-17)11-18)3-4-15(14)22-8-7-21-5-1-2-6-21/h3-4,9,19H,1-2,5-8H2
InChIKeyCKVQPOOCRPKQOB-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.12
Rot. Bonds6

About 2-[[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]hydrazinylidene]propanedinitrile

2-[[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169339007) has the molecular formula C15H16FN5O and a molecular weight of 301.33 g/mol. Its IUPAC name is 2-[[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169339007
Molecular FormulaC15H16FN5O
Molecular Weight301.33 g/mol
Exact Mass301.13
IUPAC Name2-[[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(OCCN2CCCC2)c(F)c1
InChIInChI=1S/C15H16FN5O/c16-14-9-12(19-20-13(10-17)11-18)3-4-15(14)22-8-7-21-5-1-2-6-21/h3-4,9,19H,1-2,5-8H2
InChIKeyCKVQPOOCRPKQOB-UHFFFAOYSA-N
XLogP2.12
TPSA84.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[4-[2-(azepan-1-yl)ethoxy]phenyl]hydrazinylidene]propanedinitrile
CID 169338348
2-[[3-fluoro-4-(3-methoxypropoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169340200
2-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169340479
2-[(3-fluoro-4-phenoxyphenyl)hydrazinylidene]propanedinitrile
CID 166903327
2-[[3-chloro-4-(2-piperidin-1-ylethoxy)anilino]methylidene]propanedinitrile
CID 168544057
[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol
CID 23553272
N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169371020
3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22318837
1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine
CID 107686584
N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 107687146
3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride
CID 82916897
1-[2-(2-fluoro-4-propylphenoxy)ethyl]piperidine
CID 91082463

Frequently Asked Questions

What is the IUPAC name of 2-[[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]hydrazinylidene]propanedinitrile (CID 169339007) is 2-[[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1ccc(OCCN2CCCC2)c(F)c1.
What is the InChIKey of 2-[[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is CKVQPOOCRPKQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O/c16-14-9-12(19-20-13(10-17)11-18)3-4-15(14)22-8-7-21-5-1-2-6-21/h3-4,9,19H,1-2,5-8H2.
What are the key properties of 2-[[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]hydrazinylidene]propanedinitrile?
2-[[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 301.33 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169339007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).