4-[(E)-3-chloroprop-2-enoxy]-3-fluorobenzonitrile

C10H7ClFNO — CID 103793506

IUPAC4-[(E)-3-chloroprop-2-enoxy]-3-fluorobenzonitrile
SMILESN#Cc1ccc(OC/C=C/Cl)c(F)c1
InChIInChI=1S/C10H7ClFNO/c11-4-1-5-14-10-3-2-8(7-13)6-9(10)12/h1-4,6H,5H2/b4-1+
InChIKeyPBWTYZVCWXNKSN-DAFODLJHSA-N
MW211.62 g/mol
LogP2.83
Rot. Bonds3

About 4-[(E)-3-chloroprop-2-enoxy]-3-fluorobenzonitrile

4-[(E)-3-chloroprop-2-enoxy]-3-fluorobenzonitrile (PubChem CID 103793506) has the molecular formula C10H7ClFNO and a molecular weight of 211.62 g/mol. Its IUPAC name is 4-[(E)-3-chloroprop-2-enoxy]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[(E)-3-chloroprop-2-enoxy]-3-fluorobenzonitrile
PubChem CID103793506
Molecular FormulaC10H7ClFNO
Molecular Weight211.62 g/mol
Exact Mass211.02
IUPAC Name4-[(E)-3-chloroprop-2-enoxy]-3-fluorobenzonitrile
SMILESN#Cc1ccc(OC/C=C/Cl)c(F)c1
InChIInChI=1S/C10H7ClFNO/c11-4-1-5-14-10-3-2-8(7-13)6-9(10)12/h1-4,6H,5H2/b4-1+
InChIKeyPBWTYZVCWXNKSN-DAFODLJHSA-N
XLogP2.83
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.62
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(E)-3-chloroprop-2-enoxy]-3-fluorobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-4-[(E)-3-phenylprop-2-enoxy]benzonitrile
CID 43657498
4-[2-(4-cyanophenoxy)ethoxy]-3-fluorobenzonitrile
CID 103792210
3-fluoro-4-(2,2,2-trifluoroethoxy)benzonitrile
CID 14774191
3-fluoro-4-(2-methylbutoxy)benzonitrile
CID 103792131
4-[[(E)-3-chloroprop-2-enyl]amino]-3-fluorobenzonitrile
CID 103820111
3-fluoro-4-(2-methylprop-2-enoxy)benzonitrile
CID 103793496
4-(9-bromononoxy)-3-fluorobenzonitrile
CID 107670352
3-fluoro-4-nonoxybenzonitrile
CID 107670423
4-[(4-amino-2-chlorophenyl)methoxy]-3-fluorobenzonitrile
CID 107670241
3-fluoro-4-(2-phenylsulfanylethoxy)benzonitrile
CID 103924492
(4-cyano-2-fluorophenoxy)boronic acid
CID 142767760
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-fluorobenzonitrile
CID 103792121

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-chloroprop-2-enoxy]-3-fluorobenzonitrile?
The IUPAC name of 4-[(E)-3-chloroprop-2-enoxy]-3-fluorobenzonitrile (CID 103793506) is 4-[(E)-3-chloroprop-2-enoxy]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[(E)-3-chloroprop-2-enoxy]-3-fluorobenzonitrile?
The canonical SMILES for 4-[(E)-3-chloroprop-2-enoxy]-3-fluorobenzonitrile is N#Cc1ccc(OC/C=C/Cl)c(F)c1.
What is the InChIKey of 4-[(E)-3-chloroprop-2-enoxy]-3-fluorobenzonitrile?
The InChIKey is PBWTYZVCWXNKSN-DAFODLJHSA-N. The full InChI is InChI=1S/C10H7ClFNO/c11-4-1-5-14-10-3-2-8(7-13)6-9(10)12/h1-4,6H,5H2/b4-1+.
What are the key properties of 4-[(E)-3-chloroprop-2-enoxy]-3-fluorobenzonitrile?
4-[(E)-3-chloroprop-2-enoxy]-3-fluorobenzonitrile has a molecular weight of 211.62 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-chloroprop-2-enoxy]-3-fluorobenzonitrile is sourced from PubChem (CID 103793506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).