fluoromethanetricarbonitrile

C4FN3 — CID 71372556

IUPACfluoromethanetricarbonitrile
SMILESN#CC(F)(C#N)C#N
InChIInChI=1S/C4FN3/c5-4(1-6,2-7)3-8
InChIKeyKAPIKKAUNZSLAY-UHFFFAOYSA-N
MW109.06 g/mol
LogP0.27
Rot. Bonds

About fluoromethanetricarbonitrile

fluoromethanetricarbonitrile (PubChem CID 71372556) has the molecular formula C4FN3 and a molecular weight of 109.06 g/mol. Its IUPAC name is fluoromethanetricarbonitrile.

Molecular Properties

Compound Namefluoromethanetricarbonitrile
PubChem CID71372556
Molecular FormulaC4FN3
Molecular Weight109.06 g/mol
Exact Mass109.01
IUPAC Namefluoromethanetricarbonitrile
SMILESN#CC(F)(C#N)C#N
InChIInChI=1S/C4FN3/c5-4(1-6,2-7)3-8
InChIKeyKAPIKKAUNZSLAY-UHFFFAOYSA-N
XLogP0.27
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.06
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoropropanedinitrile
CID 71375051
2-fluoro-2-methylpropanenitrile
CID 10129896
2-bromo-2-fluoropropanedinitrile
CID 134872272
2,3-bis(difluoroamino)-2,3,3-trifluoropropanenitrile
CID 150973529
2,3,3-trifluoro-2,3-dihydroxypropanenitrile
CID 89493255
2-(2-fluoropropan-2-yl)-2-hydroxypropanedinitrile
CID 10796849
(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanenitrile
CID 10285802
2,2-difluoro-2-nitroacetonitrile
CID 12695934
2-(1-cyano-1-fluoroprop-2-enoxy)-2-fluorobut-3-enenitrile
CID 87334450
2,3-dichloro-3-[(1,2-dichloro-2-cyano-1,2-difluoroethyl)disulfanyl]-2,3-difluoropropanenitrile
CID 594030
2,2-difluoro-3-oxobutanenitrile
CID 141364728
cyano-tris(trifluoromethyl)boranuide
CID 87174075

Frequently Asked Questions

What is the IUPAC name of fluoromethanetricarbonitrile?
The IUPAC name of fluoromethanetricarbonitrile (CID 71372556) is fluoromethanetricarbonitrile.
What is the SMILES notation for fluoromethanetricarbonitrile?
The canonical SMILES for fluoromethanetricarbonitrile is N#CC(F)(C#N)C#N.
What is the InChIKey of fluoromethanetricarbonitrile?
The InChIKey is KAPIKKAUNZSLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4FN3/c5-4(1-6,2-7)3-8.
What are the key properties of fluoromethanetricarbonitrile?
fluoromethanetricarbonitrile has a molecular weight of 109.06 g/mol, XLogP of 0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethanetricarbonitrile is sourced from PubChem (CID 71372556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).