2,2-diethyl-3-(5-fluoro-2-nitrophenoxy)cyclobutan-1-ol

C14H18FNO4 — CID 66367092

IUPAC2,2-diethyl-3-(5-fluoro-2-nitrophenoxy)cyclobutan-1-ol
SMILESCCC1(CC)C(O)CC1Oc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H18FNO4/c1-3-14(4-2)12(17)8-13(14)20-11-7-9(15)5-6-10(11)16(18)19/h5-7,12-13,17H,3-4,8H2,1-2H3
InChIKeyLUXCZUGJMTXCDU-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.05
Rot. Bonds5

About 2,2-diethyl-3-(5-fluoro-2-nitrophenoxy)cyclobutan-1-ol

2,2-diethyl-3-(5-fluoro-2-nitrophenoxy)cyclobutan-1-ol (PubChem CID 66367092) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2,2-diethyl-3-(5-fluoro-2-nitrophenoxy)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-diethyl-3-(5-fluoro-2-nitrophenoxy)cyclobutan-1-ol
PubChem CID66367092
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name2,2-diethyl-3-(5-fluoro-2-nitrophenoxy)cyclobutan-1-ol
SMILESCCC1(CC)C(O)CC1Oc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H18FNO4/c1-3-14(4-2)12(17)8-13(14)20-11-7-9(15)5-6-10(11)16(18)19/h5-7,12-13,17H,3-4,8H2,1-2H3
InChIKeyLUXCZUGJMTXCDU-UHFFFAOYSA-N
XLogP3.05
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.05
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

2-(3-chloro-2,2-diethylcyclobutyl)oxy-4-fluoro-1-nitrobenzene
CID 66343389
2,2-diethyl-3-(5-methoxy-2-nitrophenoxy)cyclobutan-1-ol
CID 102703796
1-(3-bromo-2,2-diethylcyclobutyl)oxy-4-fluoro-2-nitrobenzene
CID 66343915
4-(5-fluoro-2-nitrophenoxy)cyclopentane-1,2-diol
CID 76781849
2,2-diethyl-3-(2-methyl-5-nitrophenoxy)cyclobutan-1-ol
CID 66343737
2-(3-bromo-2,2-diethylcyclobutyl)oxy-4-chloro-1-nitrobenzene
CID 66344119
3-(5-fluoro-2-nitrophenoxy)spiro[3.5]nonan-1-amine
CID 66357950
2-(3,4-dimethoxycyclopentyl)oxy-4-fluoro-1-nitrobenzene
CID 76781895
(3S,5S)-3-(5-fluoro-2-nitrophenoxy)-5-methyloxolan-2-one
CID 51923988
2-(3-bromocyclobutyl)oxy-4-fluoro-1-nitrobenzene
CID 66343806
ethyl (5-fluoro-2-nitrophenyl) carbonate
CID 91722650
3-(4-bromo-5-fluoro-2-nitrophenoxy)-2,2-diethylcyclobutan-1-amine
CID 103484351

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-(5-fluoro-2-nitrophenoxy)cyclobutan-1-ol?
The IUPAC name of 2,2-diethyl-3-(5-fluoro-2-nitrophenoxy)cyclobutan-1-ol (CID 66367092) is 2,2-diethyl-3-(5-fluoro-2-nitrophenoxy)cyclobutan-1-ol.
What is the SMILES notation for 2,2-diethyl-3-(5-fluoro-2-nitrophenoxy)cyclobutan-1-ol?
The canonical SMILES for 2,2-diethyl-3-(5-fluoro-2-nitrophenoxy)cyclobutan-1-ol is CCC1(CC)C(O)CC1Oc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 2,2-diethyl-3-(5-fluoro-2-nitrophenoxy)cyclobutan-1-ol?
The InChIKey is LUXCZUGJMTXCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-3-14(4-2)12(17)8-13(14)20-11-7-9(15)5-6-10(11)16(18)19/h5-7,12-13,17H,3-4,8H2,1-2H3.
What are the key properties of 2,2-diethyl-3-(5-fluoro-2-nitrophenoxy)cyclobutan-1-ol?
2,2-diethyl-3-(5-fluoro-2-nitrophenoxy)cyclobutan-1-ol has a molecular weight of 283.30 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-(5-fluoro-2-nitrophenoxy)cyclobutan-1-ol is sourced from PubChem (CID 66367092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).