(2R)-2,9-difluoro-3-nitroundecane

C11H21F2NO2 — CID 89275236

IUPAC(2R)-2,9-difluoro-3-nitroundecane
SMILESCCC(F)CCCCCC([C@@H](C)F)[N+](=O)[O-]
InChIInChI=1S/C11H21F2NO2/c1-3-10(13)7-5-4-6-8-11(9(2)12)14(15)16/h9-11H,3-8H2,1-2H3/t9-,10?,11?/m1/s1
InChIKeyHVWDRTYMQBXFNW-KPPDAEKUSA-N
MW237.29 g/mol
LogP3.69
Rot. Bonds9

About (2R)-2,9-difluoro-3-nitroundecane

(2R)-2,9-difluoro-3-nitroundecane (PubChem CID 89275236) has the molecular formula C11H21F2NO2 and a molecular weight of 237.29 g/mol. Its IUPAC name is (2R)-2,9-difluoro-3-nitroundecane.

Molecular Properties

Compound Name(2R)-2,9-difluoro-3-nitroundecane
PubChem CID89275236
Molecular FormulaC11H21F2NO2
Molecular Weight237.29 g/mol
Exact Mass237.15
IUPAC Name(2R)-2,9-difluoro-3-nitroundecane
SMILESCCC(F)CCCCCC([C@@H](C)F)[N+](=O)[O-]
InChIInChI=1S/C11H21F2NO2/c1-3-10(13)7-5-4-6-8-11(9(2)12)14(15)16/h9-11H,3-8H2,1-2H3/t9-,10?,11?/m1/s1
InChIKeyHVWDRTYMQBXFNW-KPPDAEKUSA-N
XLogP3.69
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,7-difluorononane
CID 168864708
1,1-dichloro-6-fluorooctane
CID 88501273
4-nitrononan-3-ol
CID 22000524
(6R,7S)-6-nitrooctadecan-7-ol
CID 15531598
(3S)-2-fluoro-3-nitrobutane
CID 126762385
4-fluoro-1-(4-fluorohexylsulfinyl)hexane
CID 87925507
2-nitropentadecane
CID 87201105
(2R)-3-nitropentan-2-ol
CID 57147135
(4R,5R)-2-methyl-4-nitrotridecan-5-ol
CID 15531597
6,9,12-trinitroicosane-7,10,13-triol
CID 141354802
10-ethyl-9-nitrooctadecanoic acid
CID 155061176
calcium bis(4-fluorononanoate)
CID 101279306

Frequently Asked Questions

What is the IUPAC name of (2R)-2,9-difluoro-3-nitroundecane?
The IUPAC name of (2R)-2,9-difluoro-3-nitroundecane (CID 89275236) is (2R)-2,9-difluoro-3-nitroundecane.
What is the SMILES notation for (2R)-2,9-difluoro-3-nitroundecane?
The canonical SMILES for (2R)-2,9-difluoro-3-nitroundecane is CCC(F)CCCCCC([C@@H](C)F)[N+](=O)[O-].
What is the InChIKey of (2R)-2,9-difluoro-3-nitroundecane?
The InChIKey is HVWDRTYMQBXFNW-KPPDAEKUSA-N. The full InChI is InChI=1S/C11H21F2NO2/c1-3-10(13)7-5-4-6-8-11(9(2)12)14(15)16/h9-11H,3-8H2,1-2H3/t9-,10?,11?/m1/s1.
What are the key properties of (2R)-2,9-difluoro-3-nitroundecane?
(2R)-2,9-difluoro-3-nitroundecane has a molecular weight of 237.29 g/mol, XLogP of 3.69, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,9-difluoro-3-nitroundecane is sourced from PubChem (CID 89275236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).