(E)-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enenitrile

C16H12FNO — CID 6295779

IUPAC(E)-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enenitrile
SMILESN#C/C=C/c1ccccc1OCc1ccccc1F
InChIInChI=1S/C16H12FNO/c17-15-9-3-1-7-14(15)12-19-16-10-4-2-6-13(16)8-5-11-18/h1-10H,12H2/b8-5+
InChIKeySYZOBRNNNOZFQU-VMPITWQZSA-N
MW253.28 g/mol
LogP3.94
Rot. Bonds4

About (E)-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enenitrile

(E)-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enenitrile (PubChem CID 6295779) has the molecular formula C16H12FNO and a molecular weight of 253.28 g/mol. Its IUPAC name is (E)-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enenitrile
PubChem CID6295779
Molecular FormulaC16H12FNO
Molecular Weight253.28 g/mol
Exact Mass253.09
IUPAC Name(E)-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enenitrile
SMILESN#C/C=C/c1ccccc1OCc1ccccc1F
InChIInChI=1S/C16H12FNO/c17-15-9-3-1-7-14(15)12-19-16-10-4-2-6-13(16)8-5-11-18/h1-10H,12H2/b8-5+
InChIKeySYZOBRNNNOZFQU-VMPITWQZSA-N
XLogP3.94
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 4661928
2-[(2-fluorophenyl)methoxy]benzaldehyde
CID 2063523
(NZ)-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 5408745
3-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enenitrile
CID 4210585
(E)-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enenitrile
CID 6185484
(E)-3-(2-fluorophenyl)prop-2-enenitrile
CID 11062531
3-[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 3588353
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382467
2-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 97312635
methyl 2-[2-(2-cyanoethenyl)phenoxy]acetate
CID 169484517
(E)-2-benzamido-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 6210016
4-fluoro-2-[(2-fluorophenyl)methoxy]benzaldehyde
CID 91658405

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enenitrile?
The IUPAC name of (E)-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enenitrile (CID 6295779) is (E)-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enenitrile.
What is the SMILES notation for (E)-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enenitrile?
The canonical SMILES for (E)-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enenitrile is N#C/C=C/c1ccccc1OCc1ccccc1F.
What is the InChIKey of (E)-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enenitrile?
The InChIKey is SYZOBRNNNOZFQU-VMPITWQZSA-N. The full InChI is InChI=1S/C16H12FNO/c17-15-9-3-1-7-14(15)12-19-16-10-4-2-6-13(16)8-5-11-18/h1-10H,12H2/b8-5+.
What are the key properties of (E)-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enenitrile?
(E)-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enenitrile has a molecular weight of 253.28 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enenitrile is sourced from PubChem (CID 6295779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).