cis-(1R,2R)-2-fluoro-N-methylcyclopropane-1-carboxamide

C5H8FNO — CID 118178176

IUPACcis-(1R,2R)-2-fluoro-N-methylcyclopropane-1-carboxamide
SMILESCNC(=O)[C@H]1C[C@H]1F
InChIInChI=1S/C5H8FNO/c1-7-5(8)3-2-4(3)6/h3-4H,2H2,1H3,(H,7,8)/t3-,4+/m0/s1
InChIKeyVOHNTXJBTPUGNG-IUYQGCFVSA-N
MW117.12 g/mol
LogP0.09
Rot. Bonds1

About cis-(1R,2R)-2-fluoro-N-methylcyclopropane-1-carboxamide

cis-(1R,2R)-2-fluoro-N-methylcyclopropane-1-carboxamide (PubChem CID 118178176) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is cis-(1R,2R)-2-fluoro-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-2-fluoro-N-methylcyclopropane-1-carboxamide
PubChem CID118178176
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Namecis-(1R,2R)-2-fluoro-N-methylcyclopropane-1-carboxamide
SMILESCNC(=O)[C@H]1C[C@H]1F
InChIInChI=1S/C5H8FNO/c1-7-5(8)3-2-4(3)6/h3-4H,2H2,1H3,(H,7,8)/t3-,4+/m0/s1
InChIKeyVOHNTXJBTPUGNG-IUYQGCFVSA-N
XLogP0.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-fluoro-N-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-2-fluoro-N-methylcyclopropane-1-carboxamide (CID 118178176) is cis-(1R,2R)-2-fluoro-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-2-fluoro-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-2-fluoro-N-methylcyclopropane-1-carboxamide is CNC(=O)[C@H]1C[C@H]1F.
What is the InChIKey of cis-(1R,2R)-2-fluoro-N-methylcyclopropane-1-carboxamide?
The InChIKey is VOHNTXJBTPUGNG-IUYQGCFVSA-N. The full InChI is InChI=1S/C5H8FNO/c1-7-5(8)3-2-4(3)6/h3-4H,2H2,1H3,(H,7,8)/t3-,4+/m0/s1.
What are the key properties of cis-(1R,2R)-2-fluoro-N-methylcyclopropane-1-carboxamide?
cis-(1R,2R)-2-fluoro-N-methylcyclopropane-1-carboxamide has a molecular weight of 117.12 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-fluoro-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 118178176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).