cis-(1S,2R)-4,4-difluoro-2-(2-fluoro-4-nitrophenoxy)cyclopentan-1-ol

C11H10F3NO4 — CID 139548238

IUPACcis-(1S,2R)-4,4-difluoro-2-(2-fluoro-4-nitrophenoxy)cyclopentan-1-ol
SMILESO=[N+]([O-])c1ccc(O[C@@H]2CC(F)(F)C[C@@H]2O)c(F)c1
InChIInChI=1S/C11H10F3NO4/c12-7-3-6(15(17)18)1-2-9(7)19-10-5-11(13,14)4-8(10)16/h1-3,8,10,16H,4-5H2/t8-,10+/m0/s1
InChIKeyLILLOGUFXUJPOG-WCBMZHEXSA-N
MW277.20 g/mol
LogP2.27
Rot. Bonds3

About cis-(1S,2R)-4,4-difluoro-2-(2-fluoro-4-nitrophenoxy)cyclopentan-1-ol

cis-(1S,2R)-4,4-difluoro-2-(2-fluoro-4-nitrophenoxy)cyclopentan-1-ol (PubChem CID 139548238) has the molecular formula C11H10F3NO4 and a molecular weight of 277.20 g/mol. Its IUPAC name is cis-(1S,2R)-4,4-difluoro-2-(2-fluoro-4-nitrophenoxy)cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-4,4-difluoro-2-(2-fluoro-4-nitrophenoxy)cyclopentan-1-ol
PubChem CID139548238
Molecular FormulaC11H10F3NO4
Molecular Weight277.20 g/mol
Exact Mass277.06
IUPAC Namecis-(1S,2R)-4,4-difluoro-2-(2-fluoro-4-nitrophenoxy)cyclopentan-1-ol
SMILESO=[N+]([O-])c1ccc(O[C@@H]2CC(F)(F)C[C@@H]2O)c(F)c1
InChIInChI=1S/C11H10F3NO4/c12-7-3-6(15(17)18)1-2-9(7)19-10-5-11(13,14)4-8(10)16/h1-3,8,10,16H,4-5H2/t8-,10+/m0/s1
InChIKeyLILLOGUFXUJPOG-WCBMZHEXSA-N
XLogP2.27
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-(2-fluoro-4-nitrophenoxy)-2-methoxycyclobutan-1-ol
CID 104673652
2-(2-fluoro-4-nitrophenoxy)-N-methylcyclohexan-1-amine
CID 102634184
1-amino-3-(2-fluoro-4-nitrophenoxy)cyclopentane-1-carboxylic acid
CID 79649266
1-(3-bromo-2-ethoxycyclobutyl)oxy-2-fluoro-4-nitrobenzene
CID 113439946
trans-bis(2-fluoro-4-nitrophenyl) (1R,2R)-cyclopropane-1,2-dicarboxylate
CID 156761766
3-chloro-1-(2-fluoro-4-nitrophenoxy)spiro[3.5]nonane
CID 66344932
3-(2-fluoro-4-nitrophenoxy)pyrrolidine
CID 62328282
(2S,3R,4S,5S,6R)-2-(2-fluoro-4-nitrophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 53308502
3-(2-fluoro-4-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide
CID 79646685
3-(2-fluoro-4-nitrophenoxy)-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 141181782
1-[(2-fluoro-4-nitrophenoxy)methyl]cyclohexan-1-ol
CID 65213546
1-cyclopropyl-2-(2-fluoro-4-nitrophenoxy)ethanone
CID 63903842

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-4,4-difluoro-2-(2-fluoro-4-nitrophenoxy)cyclopentan-1-ol?
The IUPAC name of cis-(1S,2R)-4,4-difluoro-2-(2-fluoro-4-nitrophenoxy)cyclopentan-1-ol (CID 139548238) is cis-(1S,2R)-4,4-difluoro-2-(2-fluoro-4-nitrophenoxy)cyclopentan-1-ol.
What is the SMILES notation for cis-(1S,2R)-4,4-difluoro-2-(2-fluoro-4-nitrophenoxy)cyclopentan-1-ol?
The canonical SMILES for cis-(1S,2R)-4,4-difluoro-2-(2-fluoro-4-nitrophenoxy)cyclopentan-1-ol is O=[N+]([O-])c1ccc(O[C@@H]2CC(F)(F)C[C@@H]2O)c(F)c1.
What is the InChIKey of cis-(1S,2R)-4,4-difluoro-2-(2-fluoro-4-nitrophenoxy)cyclopentan-1-ol?
The InChIKey is LILLOGUFXUJPOG-WCBMZHEXSA-N. The full InChI is InChI=1S/C11H10F3NO4/c12-7-3-6(15(17)18)1-2-9(7)19-10-5-11(13,14)4-8(10)16/h1-3,8,10,16H,4-5H2/t8-,10+/m0/s1.
What are the key properties of cis-(1S,2R)-4,4-difluoro-2-(2-fluoro-4-nitrophenoxy)cyclopentan-1-ol?
cis-(1S,2R)-4,4-difluoro-2-(2-fluoro-4-nitrophenoxy)cyclopentan-1-ol has a molecular weight of 277.20 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-4,4-difluoro-2-(2-fluoro-4-nitrophenoxy)cyclopentan-1-ol is sourced from PubChem (CID 139548238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).