2-[(1R,2R,3R)-2-fluoro-3-nitrocyclopropyl]thiophene

C7H6FNO2S — CID 164681134

IUPAC2-[(1R,2R,3R)-2-fluoro-3-nitrocyclopropyl]thiophene
SMILESO=[N+]([O-])[C@H]1[C@H](F)[C@@H]1c1cccs1
InChIInChI=1S/C7H6FNO2S/c8-6-5(7(6)9(10)11)4-2-1-3-12-4/h1-3,5-7H/t5-,6+,7+/m0/s1
InChIKeyCRLKWZSFGKXCAY-RRKCRQDMSA-N
MW187.19 g/mol
LogP1.83
Rot. Bonds2

About 2-[(1R,2R,3R)-2-fluoro-3-nitrocyclopropyl]thiophene

2-[(1R,2R,3R)-2-fluoro-3-nitrocyclopropyl]thiophene (PubChem CID 164681134) has the molecular formula C7H6FNO2S and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-[(1R,2R,3R)-2-fluoro-3-nitrocyclopropyl]thiophene.

Molecular Properties

Compound Name2-[(1R,2R,3R)-2-fluoro-3-nitrocyclopropyl]thiophene
PubChem CID164681134
Molecular FormulaC7H6FNO2S
Molecular Weight187.19 g/mol
Exact Mass187.01
IUPAC Name2-[(1R,2R,3R)-2-fluoro-3-nitrocyclopropyl]thiophene
SMILESO=[N+]([O-])[C@H]1[C@H](F)[C@@H]1c1cccs1
InChIInChI=1S/C7H6FNO2S/c8-6-5(7(6)9(10)11)4-2-1-3-12-4/h1-3,5-7H/t5-,6+,7+/m0/s1
InChIKeyCRLKWZSFGKXCAY-RRKCRQDMSA-N
XLogP1.83
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Thiophene, 2-(2-nitroethyl)-
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2-(2-Nitropropyl)thiophene
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2-(2-Nitrocyclohexyl)thiophene
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2-(1-Nitrobutan-2-yl)thiophene
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AG-H-20477
CID 12164601
2-[(2S)-1-nitrobutan-2-yl]thiophene
CID 16056424
2-(1,3-Dinitropropan-2-yl)thiophene
CID 46185573
2-Methyl-5-(1-nitropropan-2-yl)thiophene
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CID 129812558

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,3R)-2-fluoro-3-nitrocyclopropyl]thiophene?
The IUPAC name of 2-[(1R,2R,3R)-2-fluoro-3-nitrocyclopropyl]thiophene (CID 164681134) is 2-[(1R,2R,3R)-2-fluoro-3-nitrocyclopropyl]thiophene.
What is the SMILES notation for 2-[(1R,2R,3R)-2-fluoro-3-nitrocyclopropyl]thiophene?
The canonical SMILES for 2-[(1R,2R,3R)-2-fluoro-3-nitrocyclopropyl]thiophene is O=[N+]([O-])[C@H]1[C@H](F)[C@@H]1c1cccs1.
What is the InChIKey of 2-[(1R,2R,3R)-2-fluoro-3-nitrocyclopropyl]thiophene?
The InChIKey is CRLKWZSFGKXCAY-RRKCRQDMSA-N. The full InChI is InChI=1S/C7H6FNO2S/c8-6-5(7(6)9(10)11)4-2-1-3-12-4/h1-3,5-7H/t5-,6+,7+/m0/s1.
What are the key properties of 2-[(1R,2R,3R)-2-fluoro-3-nitrocyclopropyl]thiophene?
2-[(1R,2R,3R)-2-fluoro-3-nitrocyclopropyl]thiophene has a molecular weight of 187.19 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,3R)-2-fluoro-3-nitrocyclopropyl]thiophene is sourced from PubChem (CID 164681134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).