(Z)-2-fluoro-3-(4-fluorophenyl)prop-2-enenitrile

C9H5F2N — CID 56969228

IUPAC(Z)-2-fluoro-3-(4-fluorophenyl)prop-2-enenitrile
SMILESN#C/C(F)=C/c1ccc(F)cc1
InChIInChI=1S/C9H5F2N/c10-8-3-1-7(2-4-8)5-9(11)6-12/h1-5H/b9-5-
InChIKeyLCBGGGLVSYMBOD-UITAMQMPSA-N
MW165.14 g/mol
LogP2.66
Rot. Bonds1

About (Z)-2-fluoro-3-(4-fluorophenyl)prop-2-enenitrile

(Z)-2-fluoro-3-(4-fluorophenyl)prop-2-enenitrile (PubChem CID 56969228) has the molecular formula C9H5F2N and a molecular weight of 165.14 g/mol. Its IUPAC name is (Z)-2-fluoro-3-(4-fluorophenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-fluoro-3-(4-fluorophenyl)prop-2-enenitrile
PubChem CID56969228
Molecular FormulaC9H5F2N
Molecular Weight165.14 g/mol
Exact Mass165.04
IUPAC Name(Z)-2-fluoro-3-(4-fluorophenyl)prop-2-enenitrile
SMILESN#C/C(F)=C/c1ccc(F)cc1
InChIInChI=1S/C9H5F2N/c10-8-3-1-7(2-4-8)5-9(11)6-12/h1-5H/b9-5-
InChIKeyLCBGGGLVSYMBOD-UITAMQMPSA-N
XLogP2.66
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-2-methylprop-2-enenitrile
CID 4610546
3-(4-fluorophenyl)-2-nitroprop-2-enenitrile
CID 71333083
(Z)-2-fluoro-3-(1H-indazol-5-yl)prop-2-enenitrile
CID 119090550
(Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]phenyl]-2-methylprop-2-enenitrile
CID 70973413
(E)-2-(4-fluorobenzoyl)-3-(4-methylphenyl)prop-2-enenitrile
CID 9337914
(Z)-3-(4-fluorophenyl)-2-(2,4,5-trimethoxyphenyl)prop-2-enenitrile
CID 174914424
(E)-1,1-dideuterio-3-(4-fluorophenyl)-2-methylprop-2-en-1-ol
CID 10866732
3-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)prop-2-enenitrile
CID 2966659
2-cyano-3-(4-fluorophenyl)-N'-phenylprop-2-enehydrazide
CID 126803275
(E)-4-(4-fluorophenyl)-3-methyl-2-oxobut-3-enoic acid
CID 57435524
(Z)-2-fluoro-5-[4-[2-[4-(4-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]pent-2-enenitrile
CID 67590863
4-[[(Z)-2-cyano-3-(4-fluorophenyl)prop-2-enoyl]amino]benzoic acid
CID 2094514

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-3-(4-fluorophenyl)prop-2-enenitrile?
The IUPAC name of (Z)-2-fluoro-3-(4-fluorophenyl)prop-2-enenitrile (CID 56969228) is (Z)-2-fluoro-3-(4-fluorophenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-fluoro-3-(4-fluorophenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-fluoro-3-(4-fluorophenyl)prop-2-enenitrile is N#C/C(F)=C/c1ccc(F)cc1.
What is the InChIKey of (Z)-2-fluoro-3-(4-fluorophenyl)prop-2-enenitrile?
The InChIKey is LCBGGGLVSYMBOD-UITAMQMPSA-N. The full InChI is InChI=1S/C9H5F2N/c10-8-3-1-7(2-4-8)5-9(11)6-12/h1-5H/b9-5-.
What are the key properties of (Z)-2-fluoro-3-(4-fluorophenyl)prop-2-enenitrile?
(Z)-2-fluoro-3-(4-fluorophenyl)prop-2-enenitrile has a molecular weight of 165.14 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-3-(4-fluorophenyl)prop-2-enenitrile is sourced from PubChem (CID 56969228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).