trans-(1R,2S)-2-fluorocyclopropane-1-carboxamide

C4H6FNO — CID 90020348

IUPACtrans-(1R,2S)-2-fluorocyclopropane-1-carboxamide
SMILESNC(=O)[C@H]1C[C@@H]1F
InChIInChI=1S/C4H6FNO/c5-3-1-2(3)4(6)7/h2-3H,1H2,(H2,6,7)/t2-,3-/m0/s1
InChIKeyPHZKRDKMJHXGBR-HRFVKAFMSA-N
MW103.10 g/mol
LogP-0.17
Rot. Bonds1

About trans-(1R,2S)-2-fluorocyclopropane-1-carboxamide

trans-(1R,2S)-2-fluorocyclopropane-1-carboxamide (PubChem CID 90020348) has the molecular formula C4H6FNO and a molecular weight of 103.10 g/mol. Its IUPAC name is trans-(1R,2S)-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2S)-2-fluorocyclopropane-1-carboxamide
PubChem CID90020348
Molecular FormulaC4H6FNO
Molecular Weight103.10 g/mol
Exact Mass103.04
IUPAC Nametrans-(1R,2S)-2-fluorocyclopropane-1-carboxamide
SMILESNC(=O)[C@H]1C[C@@H]1F
InChIInChI=1S/C4H6FNO/c5-3-1-2(3)4(6)7/h2-3H,1H2,(H2,6,7)/t2-,3-/m0/s1
InChIKeyPHZKRDKMJHXGBR-HRFVKAFMSA-N
XLogP-0.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.10
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2S)-2-fluorocyclopropane-1-carboxamide (CID 90020348) is trans-(1R,2S)-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2S)-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2S)-2-fluorocyclopropane-1-carboxamide is NC(=O)[C@H]1C[C@@H]1F.
What is the InChIKey of trans-(1R,2S)-2-fluorocyclopropane-1-carboxamide?
The InChIKey is PHZKRDKMJHXGBR-HRFVKAFMSA-N. The full InChI is InChI=1S/C4H6FNO/c5-3-1-2(3)4(6)7/h2-3H,1H2,(H2,6,7)/t2-,3-/m0/s1.
What are the key properties of trans-(1R,2S)-2-fluorocyclopropane-1-carboxamide?
trans-(1R,2S)-2-fluorocyclopropane-1-carboxamide has a molecular weight of 103.10 g/mol, XLogP of -0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 90020348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).