4-(3-fluoro-2-methylphenyl)but-3-enenitrile

C11H10FN — CID 170799207

IUPAC4-(3-fluoro-2-methylphenyl)but-3-enenitrile
SMILESCc1c(F)cccc1C=CCC#N
InChIInChI=1S/C11H10FN/c1-9-10(5-2-3-8-13)6-4-7-11(9)12/h2,4-7H,3H2,1H3
InChIKeyXXWOLCTYLYTPDH-UHFFFAOYSA-N
MW175.21 g/mol
LogP3.06
Rot. Bonds2

About 4-(3-fluoro-2-methylphenyl)but-3-enenitrile

4-(3-fluoro-2-methylphenyl)but-3-enenitrile (PubChem CID 170799207) has the molecular formula C11H10FN and a molecular weight of 175.21 g/mol. Its IUPAC name is 4-(3-fluoro-2-methylphenyl)but-3-enenitrile.

Molecular Properties

Compound Name4-(3-fluoro-2-methylphenyl)but-3-enenitrile
PubChem CID170799207
Molecular FormulaC11H10FN
Molecular Weight175.21 g/mol
Exact Mass175.08
IUPAC Name4-(3-fluoro-2-methylphenyl)but-3-enenitrile
SMILESCc1c(F)cccc1C=CCC#N
InChIInChI=1S/C11H10FN/c1-9-10(5-2-3-8-13)6-4-7-11(9)12/h2,4-7H,3H2,1H3
InChIKeyXXWOLCTYLYTPDH-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-fluoro-3-methylphenyl)but-3-enenitrile
CID 170799198
4-(3-fluoro-2-methylphenyl)but-3-ene-1-thiol
CID 170477843
4-(3-chloro-2-fluorophenyl)but-3-enenitrile
CID 170799235
4-(2,4,5-trifluorophenyl)but-3-enenitrile
CID 170799476
4-(5-chloro-2-fluorophenyl)but-3-enenitrile
CID 170799230
methyl 4-(3-fluoro-2-methylphenyl)but-3-enoate
CID 170500422
4-(2-sulfanylphenyl)but-3-enenitrile
CID 170799082
4-(2,6-diformylphenyl)but-3-enenitrile
CID 170799962
2-methyl-3-[3-(methylamino)prop-1-enyl]benzonitrile
CID 169473633
4-(2-ethoxyphenyl)but-3-enenitrile
CID 170799590
4-[2-(aminomethyl)phenyl]but-3-enenitrile
CID 170799386
(E)-4-(2,5-dimethylphenyl)but-3-enenitrile
CID 83695516

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-methylphenyl)but-3-enenitrile?
The IUPAC name of 4-(3-fluoro-2-methylphenyl)but-3-enenitrile (CID 170799207) is 4-(3-fluoro-2-methylphenyl)but-3-enenitrile.
What is the SMILES notation for 4-(3-fluoro-2-methylphenyl)but-3-enenitrile?
The canonical SMILES for 4-(3-fluoro-2-methylphenyl)but-3-enenitrile is Cc1c(F)cccc1C=CCC#N.
What is the InChIKey of 4-(3-fluoro-2-methylphenyl)but-3-enenitrile?
The InChIKey is XXWOLCTYLYTPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN/c1-9-10(5-2-3-8-13)6-4-7-11(9)12/h2,4-7H,3H2,1H3.
What are the key properties of 4-(3-fluoro-2-methylphenyl)but-3-enenitrile?
4-(3-fluoro-2-methylphenyl)but-3-enenitrile has a molecular weight of 175.21 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-methylphenyl)but-3-enenitrile is sourced from PubChem (CID 170799207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).