(Z)-3-(2-fluorophenyl)pent-2-enenitrile

C11H10FN — CID 112679693

IUPAC(Z)-3-(2-fluorophenyl)pent-2-enenitrile
SMILESCC/C(=C/C#N)c1ccccc1F
InChIInChI=1S/C11H10FN/c1-2-9(7-8-13)10-5-3-4-6-11(10)12/h3-7H,2H2,1H3/b9-7-
InChIKeyPYFBZUBDBWVAAC-CLFYSBASSA-N
MW175.21 g/mol
LogP3.14
Rot. Bonds2

About (Z)-3-(2-fluorophenyl)pent-2-enenitrile

(Z)-3-(2-fluorophenyl)pent-2-enenitrile (PubChem CID 112679693) has the molecular formula C11H10FN and a molecular weight of 175.21 g/mol. Its IUPAC name is (Z)-3-(2-fluorophenyl)pent-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(2-fluorophenyl)pent-2-enenitrile
PubChem CID112679693
Molecular FormulaC11H10FN
Molecular Weight175.21 g/mol
Exact Mass175.08
IUPAC Name(Z)-3-(2-fluorophenyl)pent-2-enenitrile
SMILESCC/C(=C/C#N)c1ccccc1F
InChIInChI=1S/C11H10FN/c1-2-9(7-8-13)10-5-3-4-6-11(10)12/h3-7H,2H2,1H3/b9-7-
InChIKeyPYFBZUBDBWVAAC-CLFYSBASSA-N
XLogP3.14
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 53.14
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-(2-fluorophenyl)but-2-enenitrile
CID 76913879
(Z)-3-(2-fluorophenyl)pent-2-enal
CID 115015110
acetonitrile;2-fluorophenol
CID 174966962
3-(furan-2-yl)pent-2-enenitrile
CID 71383305
2-(2-fluorophenyl)ethene-1,1,2-tricarbonitrile
CID 91181547
1-(2-fluorophenyl)pentane-1,3-dione
CID 28896114
methyl (Z)-4-cyano-4-(2-fluorophenyl)but-3-enoate
CID 177406232
(Z)-3-(2,3-difluorophenyl)pent-2-enoic acid
CID 67458775
(Z)-3-(dimethylamino)-2-(2-fluorophenyl)prop-2-enenitrile
CID 71683830
(2-ethylphenyl)-(2-fluorophenyl)methanone
CID 83393999
2-fluoro-N-methylbenzamide;hydrate
CID 141303255
4-(2-fluorophenyl)-3-methyl-4-oxobutanenitrile
CID 60914023

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-fluorophenyl)pent-2-enenitrile?
The IUPAC name of (Z)-3-(2-fluorophenyl)pent-2-enenitrile (CID 112679693) is (Z)-3-(2-fluorophenyl)pent-2-enenitrile.
What is the SMILES notation for (Z)-3-(2-fluorophenyl)pent-2-enenitrile?
The canonical SMILES for (Z)-3-(2-fluorophenyl)pent-2-enenitrile is CC/C(=C/C#N)c1ccccc1F.
What is the InChIKey of (Z)-3-(2-fluorophenyl)pent-2-enenitrile?
The InChIKey is PYFBZUBDBWVAAC-CLFYSBASSA-N. The full InChI is InChI=1S/C11H10FN/c1-2-9(7-8-13)10-5-3-4-6-11(10)12/h3-7H,2H2,1H3/b9-7-.
What are the key properties of (Z)-3-(2-fluorophenyl)pent-2-enenitrile?
(Z)-3-(2-fluorophenyl)pent-2-enenitrile has a molecular weight of 175.21 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-fluorophenyl)pent-2-enenitrile is sourced from PubChem (CID 112679693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).