4-(5-chloro-2-fluorophenyl)but-3-enenitrile

C10H7ClFN — CID 170799230

IUPAC4-(5-chloro-2-fluorophenyl)but-3-enenitrile
SMILESN#CCC=Cc1cc(Cl)ccc1F
InChIInChI=1S/C10H7ClFN/c11-9-4-5-10(12)8(7-9)3-1-2-6-13/h1,3-5,7H,2H2
InChIKeyHTASKUZXCVFJIX-UHFFFAOYSA-N
MW195.62 g/mol
LogP3.41
Rot. Bonds2

About 4-(5-chloro-2-fluorophenyl)but-3-enenitrile

4-(5-chloro-2-fluorophenyl)but-3-enenitrile (PubChem CID 170799230) has the molecular formula C10H7ClFN and a molecular weight of 195.62 g/mol. Its IUPAC name is 4-(5-chloro-2-fluorophenyl)but-3-enenitrile.

Molecular Properties

Compound Name4-(5-chloro-2-fluorophenyl)but-3-enenitrile
PubChem CID170799230
Molecular FormulaC10H7ClFN
Molecular Weight195.62 g/mol
Exact Mass195.03
IUPAC Name4-(5-chloro-2-fluorophenyl)but-3-enenitrile
SMILESN#CCC=Cc1cc(Cl)ccc1F
InChIInChI=1S/C10H7ClFN/c11-9-4-5-10(12)8(7-9)3-1-2-6-13/h1,3-5,7H,2H2
InChIKeyHTASKUZXCVFJIX-UHFFFAOYSA-N
XLogP3.41
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.62
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,4,5-trifluorophenyl)but-3-enenitrile
CID 170799476
4-(3-chloro-2-fluorophenyl)but-3-enenitrile
CID 170799235
4-[2-(cyanomethyl)-5-fluorophenyl]but-3-enenitrile
CID 170800071
4-(3-fluoro-2-methylphenyl)but-3-enenitrile
CID 170799207
4-(2-bromo-4-fluorophenyl)but-3-enenitrile
CID 170800735
4-[4-fluoro-3-(trifluoromethyl)phenyl]but-3-enenitrile
CID 170800175
4-(5-fluoro-2-formylphenyl)but-3-enenitrile
CID 170799544
4-(2-chlorothiophen-3-yl)but-3-enenitrile
CID 170799063
4-(4-ethoxy-2-fluorophenyl)but-3-enenitrile
CID 170799973
4-(2-fluoro-3-methylphenyl)but-3-enenitrile
CID 170799198
4-(2,6-dichloro-3-pyridinyl)but-3-enenitrile
CID 170799411
N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide
CID 169464994

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-fluorophenyl)but-3-enenitrile?
The IUPAC name of 4-(5-chloro-2-fluorophenyl)but-3-enenitrile (CID 170799230) is 4-(5-chloro-2-fluorophenyl)but-3-enenitrile.
What is the SMILES notation for 4-(5-chloro-2-fluorophenyl)but-3-enenitrile?
The canonical SMILES for 4-(5-chloro-2-fluorophenyl)but-3-enenitrile is N#CCC=Cc1cc(Cl)ccc1F.
What is the InChIKey of 4-(5-chloro-2-fluorophenyl)but-3-enenitrile?
The InChIKey is HTASKUZXCVFJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN/c11-9-4-5-10(12)8(7-9)3-1-2-6-13/h1,3-5,7H,2H2.
What are the key properties of 4-(5-chloro-2-fluorophenyl)but-3-enenitrile?
4-(5-chloro-2-fluorophenyl)but-3-enenitrile has a molecular weight of 195.62 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-fluorophenyl)but-3-enenitrile is sourced from PubChem (CID 170799230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).