2-[2-fluoro-5-(2-oxopropyl)phenyl]acetonitrile

C11H10FNO — CID 130870436

IUPAC2-[2-fluoro-5-(2-oxopropyl)phenyl]acetonitrile
SMILESCC(=O)Cc1ccc(F)c(CC#N)c1
InChIInChI=1S/C11H10FNO/c1-8(14)6-9-2-3-11(12)10(7-9)4-5-13/h2-3,7H,4,6H2,1H3
InChIKeyPHIWXRWJJQQJDY-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.02
Rot. Bonds3

About 2-[2-fluoro-5-(2-oxopropyl)phenyl]acetonitrile

2-[2-fluoro-5-(2-oxopropyl)phenyl]acetonitrile (PubChem CID 130870436) has the molecular formula C11H10FNO and a molecular weight of 191.20 g/mol. Its IUPAC name is 2-[2-fluoro-5-(2-oxopropyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-fluoro-5-(2-oxopropyl)phenyl]acetonitrile
PubChem CID130870436
Molecular FormulaC11H10FNO
Molecular Weight191.20 g/mol
Exact Mass191.07
IUPAC Name2-[2-fluoro-5-(2-oxopropyl)phenyl]acetonitrile
SMILESCC(=O)Cc1ccc(F)c(CC#N)c1
InChIInChI=1S/C11H10FNO/c1-8(14)6-9-2-3-11(12)10(7-9)4-5-13/h2-3,7H,4,6H2,1H3
InChIKeyPHIWXRWJJQQJDY-UHFFFAOYSA-N
XLogP2.02
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(cyanomethyl)-4-fluorophenyl]propanoic acid
CID 176905219
1-(5-ethyl-2-fluorophenyl)propan-2-one
CID 117278354
1-(4-ethyl-3-fluorophenyl)propan-2-one
CID 118824683
4-fluoro-3-[[4-(2-oxopropyl)phenoxy]methyl]benzonitrile
CID 115495414
ethyl 4-[3-(cyanomethyl)-4-fluorophenyl]but-3-enoate
CID 170796517
2-[3-bromo-4-(2-oxopropyl)phenyl]acetonitrile
CID 131169312
2-[4-(cyanomethyl)-3-hydroxyphenyl]acetic acid
CID 91883656
2-[3-(bromomethyl)-4-fluorophenyl]acetic acid
CID 99769915
methyl 5-(cyanomethyl)-2-fluorobenzoate
CID 68844953
ethyl 3-[3-(cyanomethyl)-4-fluorophenyl]-2,3-dihydroxypropanoate
CID 171866510
1-(3-fluoro-4-nitrophenyl)propan-2-one
CID 118807590
2-[5-(3-aminoprop-1-enyl)-2-fluorophenyl]acetonitrile
CID 169463893

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-(2-oxopropyl)phenyl]acetonitrile?
The IUPAC name of 2-[2-fluoro-5-(2-oxopropyl)phenyl]acetonitrile (CID 130870436) is 2-[2-fluoro-5-(2-oxopropyl)phenyl]acetonitrile.
What is the SMILES notation for 2-[2-fluoro-5-(2-oxopropyl)phenyl]acetonitrile?
The canonical SMILES for 2-[2-fluoro-5-(2-oxopropyl)phenyl]acetonitrile is CC(=O)Cc1ccc(F)c(CC#N)c1.
What is the InChIKey of 2-[2-fluoro-5-(2-oxopropyl)phenyl]acetonitrile?
The InChIKey is PHIWXRWJJQQJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO/c1-8(14)6-9-2-3-11(12)10(7-9)4-5-13/h2-3,7H,4,6H2,1H3.
What are the key properties of 2-[2-fluoro-5-(2-oxopropyl)phenyl]acetonitrile?
2-[2-fluoro-5-(2-oxopropyl)phenyl]acetonitrile has a molecular weight of 191.20 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-(2-oxopropyl)phenyl]acetonitrile is sourced from PubChem (CID 130870436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).