ethane;3-fluorobenzonitrile

C9H10FN — CID 143604554

IUPACethane;3-fluorobenzonitrile
SMILESCC.N#Cc1cccc(F)c1
InChIInChI=1S/C7H4FN.C2H6/c8-7-3-1-2-6(4-7)5-9;1-2/h1-4H;1-2H3
InChIKeyIOKBFHLIKKBTPI-UHFFFAOYSA-N
MW151.18 g/mol
LogP2.72
Rot. Bonds

About ethane;3-fluorobenzonitrile

ethane;3-fluorobenzonitrile (PubChem CID 143604554) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is ethane;3-fluorobenzonitrile.

Molecular Properties

Compound Nameethane;3-fluorobenzonitrile
PubChem CID143604554
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Nameethane;3-fluorobenzonitrile
SMILESCC.N#Cc1cccc(F)c1
InChIInChI=1S/C7H4FN.C2H6/c8-7-3-1-2-6(4-7)5-9;1-2/h1-4H;1-2H3
InChIKeyIOKBFHLIKKBTPI-UHFFFAOYSA-N
XLogP2.72
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluorobenzonitrile;hydrochloride
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1-aminopropan-2-ol;3-fluorobenzonitrile
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3-fluoro-5-(3-fluorophenyl)benzonitrile
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bis(3-bromobenzonitrile);ethane;fluoromethane
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3-[(3-fluorophenyl)iminomethyl]benzonitrile
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3-[(3-fluorophenyl)methoxy]benzonitrile
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3-[2-(3-cyanophenyl)ethynyl]benzonitrile
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3-(4-fluoro-N-methylanilino)benzonitrile
CID 102816079
4-amino-3-(3-fluorophenyl)benzonitrile
CID 46314165
3-fluoro-5-[2-(3-methylphenyl)ethynyl]benzonitrile
CID 11960675
3-fluorobenzonitrile;2-(4-hydroxyphenoxy)propanoic acid
CID 157355506
3-[(3-fluoroanilino)diazenyl]benzonitrile
CID 12897020

Frequently Asked Questions

What is the IUPAC name of ethane;3-fluorobenzonitrile?
The IUPAC name of ethane;3-fluorobenzonitrile (CID 143604554) is ethane;3-fluorobenzonitrile.
What is the SMILES notation for ethane;3-fluorobenzonitrile?
The canonical SMILES for ethane;3-fluorobenzonitrile is CC.N#Cc1cccc(F)c1.
What is the InChIKey of ethane;3-fluorobenzonitrile?
The InChIKey is IOKBFHLIKKBTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN.C2H6/c8-7-3-1-2-6(4-7)5-9;1-2/h1-4H;1-2H3.
What are the key properties of ethane;3-fluorobenzonitrile?
ethane;3-fluorobenzonitrile has a molecular weight of 151.18 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluorobenzonitrile is sourced from PubChem (CID 143604554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).