2,6-difluoro-4-prop-1-en-2-ylbenzonitrile

C10H7F2N — CID 148649310

IUPAC2,6-difluoro-4-prop-1-en-2-ylbenzonitrile
SMILESC=C(C)c1cc(F)c(C#N)c(F)c1
InChIInChI=1S/C10H7F2N/c1-6(2)7-3-9(11)8(5-13)10(12)4-7/h3-4H,1H2,2H3
InChIKeyNLPNCCUBHCJSTD-UHFFFAOYSA-N
MW179.17 g/mol
LogP2.87
Rot. Bonds1

About 2,6-difluoro-4-prop-1-en-2-ylbenzonitrile

2,6-difluoro-4-prop-1-en-2-ylbenzonitrile (PubChem CID 148649310) has the molecular formula C10H7F2N and a molecular weight of 179.17 g/mol. Its IUPAC name is 2,6-difluoro-4-prop-1-en-2-ylbenzonitrile.

Molecular Properties

Compound Name2,6-difluoro-4-prop-1-en-2-ylbenzonitrile
PubChem CID148649310
Molecular FormulaC10H7F2N
Molecular Weight179.17 g/mol
Exact Mass179.05
IUPAC Name2,6-difluoro-4-prop-1-en-2-ylbenzonitrile
SMILESC=C(C)c1cc(F)c(C#N)c(F)c1
InChIInChI=1S/C10H7F2N/c1-6(2)7-3-9(11)8(5-13)10(12)4-7/h3-4H,1H2,2H3
InChIKeyNLPNCCUBHCJSTD-UHFFFAOYSA-N
XLogP2.87
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-1,3-difluoro-5-prop-1-en-2-ylbenzene
CID 170266078
4-(difluoromethyl)-2,6-difluorobenzonitrile
CID 119018224
4-acetyl-2-fluoro-6-methoxybenzonitrile
CID 131590815
2,6-difluoro-4-iodobenzonitrile
CID 19023068
5-amino-7-(2-fluoro-4-prop-1-en-2-ylphenyl)-2,3-dihydro-1-benzofuran-4-carbonitrile;ethane
CID 162685619
2,6-difluoro-4-(4-methylphenyl)benzonitrile
CID 20714839
2-hydroxy-4-prop-1-en-2-ylbenzonitrile
CID 177195315
4-(dimethoxymethyl)-2,6-difluorobenzonitrile
CID 123326116
(2-fluoro-4-methylphenyl) 4-cyano-3,5-difluorobenzoate
CID 59760365
2-fluoro-6-methyl-4-prop-1-en-2-ylbenzamide
CID 177031736
2-acetyl-4-amino-6-fluorobenzonitrile
CID 171011168
2-acetyl-6-fluoro-4-iodobenzonitrile
CID 131536374

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-prop-1-en-2-ylbenzonitrile?
The IUPAC name of 2,6-difluoro-4-prop-1-en-2-ylbenzonitrile (CID 148649310) is 2,6-difluoro-4-prop-1-en-2-ylbenzonitrile.
What is the SMILES notation for 2,6-difluoro-4-prop-1-en-2-ylbenzonitrile?
The canonical SMILES for 2,6-difluoro-4-prop-1-en-2-ylbenzonitrile is C=C(C)c1cc(F)c(C#N)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-prop-1-en-2-ylbenzonitrile?
The InChIKey is NLPNCCUBHCJSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N/c1-6(2)7-3-9(11)8(5-13)10(12)4-7/h3-4H,1H2,2H3.
What are the key properties of 2,6-difluoro-4-prop-1-en-2-ylbenzonitrile?
2,6-difluoro-4-prop-1-en-2-ylbenzonitrile has a molecular weight of 179.17 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-prop-1-en-2-ylbenzonitrile is sourced from PubChem (CID 148649310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).