(1R,2R,4S)-2-fluoro-2-nitrobicyclo[2.2.1]heptane

C7H10FNO2 — CID 10441954

IUPAC(1R,2R,4S)-2-fluoro-2-nitrobicyclo[2.2.1]heptane
SMILESO=[N+]([O-])[C@@]1(F)C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C7H10FNO2/c8-7(9(10)11)4-5-1-2-6(7)3-5/h5-6H,1-4H2/t5-,6+,7-/m0/s1
InChIKeyHCTJUWHSHMGZRH-XVMARJQXSA-N
MW159.16 g/mol
LogP1.75
Rot. Bonds1

About (1R,2R,4S)-2-fluoro-2-nitrobicyclo[2.2.1]heptane

(1R,2R,4S)-2-fluoro-2-nitrobicyclo[2.2.1]heptane (PubChem CID 10441954) has the molecular formula C7H10FNO2 and a molecular weight of 159.16 g/mol. Its IUPAC name is (1R,2R,4S)-2-fluoro-2-nitrobicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,2R,4S)-2-fluoro-2-nitrobicyclo[2.2.1]heptane
PubChem CID10441954
Molecular FormulaC7H10FNO2
Molecular Weight159.16 g/mol
Exact Mass159.07
IUPAC Name(1R,2R,4S)-2-fluoro-2-nitrobicyclo[2.2.1]heptane
SMILESO=[N+]([O-])[C@@]1(F)C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C7H10FNO2/c8-7(9(10)11)4-5-1-2-6(7)3-5/h5-6H,1-4H2/t5-,6+,7-/m0/s1
InChIKeyHCTJUWHSHMGZRH-XVMARJQXSA-N
XLogP1.75
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2-fluoro-2-nitrobicyclo[2.2.1]heptane?
The IUPAC name of (1R,2R,4S)-2-fluoro-2-nitrobicyclo[2.2.1]heptane (CID 10441954) is (1R,2R,4S)-2-fluoro-2-nitrobicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,2R,4S)-2-fluoro-2-nitrobicyclo[2.2.1]heptane?
The canonical SMILES for (1R,2R,4S)-2-fluoro-2-nitrobicyclo[2.2.1]heptane is O=[N+]([O-])[C@@]1(F)C[C@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,2R,4S)-2-fluoro-2-nitrobicyclo[2.2.1]heptane?
The InChIKey is HCTJUWHSHMGZRH-XVMARJQXSA-N. The full InChI is InChI=1S/C7H10FNO2/c8-7(9(10)11)4-5-1-2-6(7)3-5/h5-6H,1-4H2/t5-,6+,7-/m0/s1.
What are the key properties of (1R,2R,4S)-2-fluoro-2-nitrobicyclo[2.2.1]heptane?
(1R,2R,4S)-2-fluoro-2-nitrobicyclo[2.2.1]heptane has a molecular weight of 159.16 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2-fluoro-2-nitrobicyclo[2.2.1]heptane is sourced from PubChem (CID 10441954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).