trans-(1S,2S)-1-cyano-2-fluorocyclopropane-1-carboxylic acid

C5H4FNO2 — CID 162377973

IUPACtrans-(1S,2S)-1-cyano-2-fluorocyclopropane-1-carboxylic acid
SMILESN#C[C@]1(C(=O)O)C[C@@H]1F
InChIInChI=1S/C5H4FNO2/c6-3-1-5(3,2-7)4(8)9/h3H,1H2,(H,8,9)/t3-,5+/m0/s1
InChIKeyGOAMBGDSAJZLND-WVZVXSGGSA-N
MW129.09 g/mol
LogP0.32
Rot. Bonds1

About trans-(1S,2S)-1-cyano-2-fluorocyclopropane-1-carboxylic acid

trans-(1S,2S)-1-cyano-2-fluorocyclopropane-1-carboxylic acid (PubChem CID 162377973) has the molecular formula C5H4FNO2 and a molecular weight of 129.09 g/mol. Its IUPAC name is trans-(1S,2S)-1-cyano-2-fluorocyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-1-cyano-2-fluorocyclopropane-1-carboxylic acid
PubChem CID162377973
Molecular FormulaC5H4FNO2
Molecular Weight129.09 g/mol
Exact Mass129.02
IUPAC Nametrans-(1S,2S)-1-cyano-2-fluorocyclopropane-1-carboxylic acid
SMILESN#C[C@]1(C(=O)O)C[C@@H]1F
InChIInChI=1S/C5H4FNO2/c6-3-1-5(3,2-7)4(8)9/h3H,1H2,(H,8,9)/t3-,5+/m0/s1
InChIKeyGOAMBGDSAJZLND-WVZVXSGGSA-N
XLogP0.32
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.09
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-cyano-2-fluorocyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-1-cyano-2-fluorocyclopropane-1-carboxylic acid (CID 162377973) is trans-(1S,2S)-1-cyano-2-fluorocyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-1-cyano-2-fluorocyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-1-cyano-2-fluorocyclopropane-1-carboxylic acid is N#C[C@]1(C(=O)O)C[C@@H]1F.
What is the InChIKey of trans-(1S,2S)-1-cyano-2-fluorocyclopropane-1-carboxylic acid?
The InChIKey is GOAMBGDSAJZLND-WVZVXSGGSA-N. The full InChI is InChI=1S/C5H4FNO2/c6-3-1-5(3,2-7)4(8)9/h3H,1H2,(H,8,9)/t3-,5+/m0/s1.
What are the key properties of trans-(1S,2S)-1-cyano-2-fluorocyclopropane-1-carboxylic acid?
trans-(1S,2S)-1-cyano-2-fluorocyclopropane-1-carboxylic acid has a molecular weight of 129.09 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-cyano-2-fluorocyclopropane-1-carboxylic acid is sourced from PubChem (CID 162377973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).