(Z)-3-(4-propoxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile

C18H15F3N2O — CID 24662575

IUPAC(Z)-3-(4-propoxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
SMILESCCCOc1ccc(/C=C(\C#N)c2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C18H15F3N2O/c1-2-9-24-16-6-3-13(4-7-16)10-14(11-22)17-8-5-15(12-23-17)18(19,20)21/h3-8,10,12H,2,9H2,1H3/b14-10+
InChIKeyAMTVSWVCADMPGT-GXDHUFHOSA-N
MW332.33 g/mol
LogP4.95
Rot. Bonds5

About (Z)-3-(4-propoxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile

(Z)-3-(4-propoxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile (PubChem CID 24662575) has the molecular formula C18H15F3N2O and a molecular weight of 332.33 g/mol. Its IUPAC name is (Z)-3-(4-propoxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(4-propoxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
PubChem CID24662575
Molecular FormulaC18H15F3N2O
Molecular Weight332.33 g/mol
Exact Mass332.11
IUPAC Name(Z)-3-(4-propoxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
SMILESCCCOc1ccc(/C=C(\C#N)c2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C18H15F3N2O/c1-2-9-24-16-6-3-13(4-7-16)10-14(11-22)17-8-5-15(12-23-17)18(19,20)21/h3-8,10,12H,2,9H2,1H3/b14-10+
InChIKeyAMTVSWVCADMPGT-GXDHUFHOSA-N
XLogP4.95
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-propan-2-yloxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
CID 74766351
(Z)-3-(4-methylsulfanylphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
CID 24662539
(Z)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
CID 24662616
3-(4-pentoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 75849804
3-[[3-[(E)-2-cyano-2-[5-(trifluoromethyl)-2-pyridinyl]ethenyl]phenoxy]methyl]benzonitrile
CID 74766248
(Z)-3-(2,6-dichlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
CID 24662540
(Z)-3-naphthalen-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
CID 24662512
3-(3-cyclopentyloxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
CID 71890818
(Z)-3-(2-bromophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
CID 24662545
(E)-2-formyl-3-(4-propoxyphenyl)prop-2-enenitrile
CID 178022532
[1-[3-[3-[2-cyano-2-[5-(trifluoromethyl)-2-pyridinyl]ethenyl]phenoxy]propanoylamino]-2-phenylethyl]boronic acid
CID 174106214
(E)-2-cyano-3-(4-propoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 19177181

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-propoxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile?
The IUPAC name of (Z)-3-(4-propoxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile (CID 24662575) is (Z)-3-(4-propoxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(4-propoxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile?
The canonical SMILES for (Z)-3-(4-propoxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile is CCCOc1ccc(/C=C(\C#N)c2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of (Z)-3-(4-propoxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile?
The InChIKey is AMTVSWVCADMPGT-GXDHUFHOSA-N. The full InChI is InChI=1S/C18H15F3N2O/c1-2-9-24-16-6-3-13(4-7-16)10-14(11-22)17-8-5-15(12-23-17)18(19,20)21/h3-8,10,12H,2,9H2,1H3/b14-10+.
What are the key properties of (Z)-3-(4-propoxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile?
(Z)-3-(4-propoxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile has a molecular weight of 332.33 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-propoxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile is sourced from PubChem (CID 24662575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).