trans-(1R,2R)-1-fluoro-2-nitrocyclohexane

C6H10FNO2 — CID 45090397

IUPACtrans-(1R,2R)-1-fluoro-2-nitrocyclohexane
SMILESO=[N+]([O-])[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C6H10FNO2/c7-5-3-1-2-4-6(5)8(9)10/h5-6H,1-4H2/t5-,6-/m1/s1
InChIKeyUTHRTOMJXHRMMT-PHDIDXHHSA-N
MW147.15 g/mol
LogP1.54
Rot. Bonds1

About trans-(1R,2R)-1-fluoro-2-nitrocyclohexane

trans-(1R,2R)-1-fluoro-2-nitrocyclohexane (PubChem CID 45090397) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is trans-(1R,2R)-1-fluoro-2-nitrocyclohexane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-fluoro-2-nitrocyclohexane
PubChem CID45090397
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Nametrans-(1R,2R)-1-fluoro-2-nitrocyclohexane
SMILESO=[N+]([O-])[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C6H10FNO2/c7-5-3-1-2-4-6(5)8(9)10/h5-6H,1-4H2/t5-,6-/m1/s1
InChIKeyUTHRTOMJXHRMMT-PHDIDXHHSA-N
XLogP1.54
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-fluoro-2-nitrocyclohexane?
The IUPAC name of trans-(1R,2R)-1-fluoro-2-nitrocyclohexane (CID 45090397) is trans-(1R,2R)-1-fluoro-2-nitrocyclohexane.
What is the SMILES notation for trans-(1R,2R)-1-fluoro-2-nitrocyclohexane?
The canonical SMILES for trans-(1R,2R)-1-fluoro-2-nitrocyclohexane is O=[N+]([O-])[C@@H]1CCCC[C@H]1F.
What is the InChIKey of trans-(1R,2R)-1-fluoro-2-nitrocyclohexane?
The InChIKey is UTHRTOMJXHRMMT-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H10FNO2/c7-5-3-1-2-4-6(5)8(9)10/h5-6H,1-4H2/t5-,6-/m1/s1.
What are the key properties of trans-(1R,2R)-1-fluoro-2-nitrocyclohexane?
trans-(1R,2R)-1-fluoro-2-nitrocyclohexane has a molecular weight of 147.15 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-fluoro-2-nitrocyclohexane is sourced from PubChem (CID 45090397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).