trans-(1R,2R)-1-nitro-2-(trifluoromethyl)cyclopropane

C4H4F3NO2 — CID 102484537

IUPACtrans-(1R,2R)-1-nitro-2-(trifluoromethyl)cyclopropane
SMILESO=[N+]([O-])[C@@H]1C[C@H]1C(F)(F)F
InChIInChI=1S/C4H4F3NO2/c5-4(6,7)2-1-3(2)8(9)10/h2-3H,1H2/t2-,3-/m1/s1
InChIKeyNSFSOHGRROEBMR-PWNYCUMCSA-N
MW155.07 g/mol
LogP1.21
Rot. Bonds1

About trans-(1R,2R)-1-nitro-2-(trifluoromethyl)cyclopropane

trans-(1R,2R)-1-nitro-2-(trifluoromethyl)cyclopropane (PubChem CID 102484537) has the molecular formula C4H4F3NO2 and a molecular weight of 155.07 g/mol. Its IUPAC name is trans-(1R,2R)-1-nitro-2-(trifluoromethyl)cyclopropane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-nitro-2-(trifluoromethyl)cyclopropane
PubChem CID102484537
Molecular FormulaC4H4F3NO2
Molecular Weight155.07 g/mol
Exact Mass155.02
IUPAC Nametrans-(1R,2R)-1-nitro-2-(trifluoromethyl)cyclopropane
SMILESO=[N+]([O-])[C@@H]1C[C@H]1C(F)(F)F
InChIInChI=1S/C4H4F3NO2/c5-4(6,7)2-1-3(2)8(9)10/h2-3H,1H2/t2-,3-/m1/s1
InChIKeyNSFSOHGRROEBMR-PWNYCUMCSA-N
XLogP1.21
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.07
LogP ≤ 51.21
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-nitro-2-(trifluoromethyl)cyclopropane?
The IUPAC name of trans-(1R,2R)-1-nitro-2-(trifluoromethyl)cyclopropane (CID 102484537) is trans-(1R,2R)-1-nitro-2-(trifluoromethyl)cyclopropane.
What is the SMILES notation for trans-(1R,2R)-1-nitro-2-(trifluoromethyl)cyclopropane?
The canonical SMILES for trans-(1R,2R)-1-nitro-2-(trifluoromethyl)cyclopropane is O=[N+]([O-])[C@@H]1C[C@H]1C(F)(F)F.
What is the InChIKey of trans-(1R,2R)-1-nitro-2-(trifluoromethyl)cyclopropane?
The InChIKey is NSFSOHGRROEBMR-PWNYCUMCSA-N. The full InChI is InChI=1S/C4H4F3NO2/c5-4(6,7)2-1-3(2)8(9)10/h2-3H,1H2/t2-,3-/m1/s1.
What are the key properties of trans-(1R,2R)-1-nitro-2-(trifluoromethyl)cyclopropane?
trans-(1R,2R)-1-nitro-2-(trifluoromethyl)cyclopropane has a molecular weight of 155.07 g/mol, XLogP of 1.21, 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-nitro-2-(trifluoromethyl)cyclopropane is sourced from PubChem (CID 102484537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).