3-[(3-fluoro-2-nitroanilino)methyl]cyclobutan-1-ol

C11H13FN2O3 — CID 66005060

IUPAC3-[(3-fluoro-2-nitroanilino)methyl]cyclobutan-1-ol
SMILESO=[N+]([O-])c1c(F)cccc1NCC1CC(O)C1
InChIInChI=1S/C11H13FN2O3/c12-9-2-1-3-10(11(9)14(16)17)13-6-7-4-8(15)5-7/h1-3,7-8,13,15H,4-6H2
InChIKeyOIOFZNVWIJMHSN-UHFFFAOYSA-N
MW240.23 g/mol
LogP1.92
Rot. Bonds4

About 3-[(3-fluoro-2-nitroanilino)methyl]cyclobutan-1-ol

3-[(3-fluoro-2-nitroanilino)methyl]cyclobutan-1-ol (PubChem CID 66005060) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 3-[(3-fluoro-2-nitroanilino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(3-fluoro-2-nitroanilino)methyl]cyclobutan-1-ol
PubChem CID66005060
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name3-[(3-fluoro-2-nitroanilino)methyl]cyclobutan-1-ol
SMILESO=[N+]([O-])c1c(F)cccc1NCC1CC(O)C1
InChIInChI=1S/C11H13FN2O3/c12-9-2-1-3-10(11(9)14(16)17)13-6-7-4-8(15)5-7/h1-3,7-8,13,15H,4-6H2
InChIKeyOIOFZNVWIJMHSN-UHFFFAOYSA-N
XLogP1.92
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 51.92
H-Bond Donors ≤ 52
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-[(3-hydrazinyl-2-nitroanilino)methyl]cyclobutan-1-ol
CID 80921595
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CID 106137977
3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol
CID 106138658
3-[(3-chloro-2-nitroanilino)methyl]cyclopentan-1-ol
CID 106127905
3-fluoro-2-nitro-N-(oxan-3-ylmethyl)aniline
CID 61020278
3-[(3-methylsulfonyl-2-nitroanilino)methyl]cyclopentan-1-ol
CID 103269800
(4S)-1-cyclopropyl-4-[(3-fluoro-2-nitroanilino)methyl]pyrrolidin-2-one
CID 124884451
3-N-(cyclopropylmethyl)-1-N-methyl-2-nitrobenzene-1,3-diamine
CID 80770395
3-[(5-bromo-4-fluoro-2-nitroanilino)methyl]cyclobutan-1-ol
CID 116737225
1-[(3-fluoro-2-nitroanilino)methyl]cyclobutan-1-ol
CID 115669115
N'-(3-fluoro-2-nitrophenyl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 60578967
N,3-difluoro-2-nitroaniline
CID 87619715

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-2-nitroanilino)methyl]cyclobutan-1-ol?
The IUPAC name of 3-[(3-fluoro-2-nitroanilino)methyl]cyclobutan-1-ol (CID 66005060) is 3-[(3-fluoro-2-nitroanilino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[(3-fluoro-2-nitroanilino)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[(3-fluoro-2-nitroanilino)methyl]cyclobutan-1-ol is O=[N+]([O-])c1c(F)cccc1NCC1CC(O)C1.
What is the InChIKey of 3-[(3-fluoro-2-nitroanilino)methyl]cyclobutan-1-ol?
The InChIKey is OIOFZNVWIJMHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c12-9-2-1-3-10(11(9)14(16)17)13-6-7-4-8(15)5-7/h1-3,7-8,13,15H,4-6H2.
What are the key properties of 3-[(3-fluoro-2-nitroanilino)methyl]cyclobutan-1-ol?
3-[(3-fluoro-2-nitroanilino)methyl]cyclobutan-1-ol has a molecular weight of 240.23 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-2-nitroanilino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 66005060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).