N-(2,6-difluoro-4-nitrophenyl)-2-methyloxolan-3-amine

C11H12F2N2O3 — CID 103873049

IUPACN-(2,6-difluoro-4-nitrophenyl)-2-methyloxolan-3-amine
SMILESCC1OCCC1Nc1c(F)cc([N+](=O)[O-])cc1F
InChIInChI=1S/C11H12F2N2O3/c1-6-10(2-3-18-6)14-11-8(12)4-7(15(16)17)5-9(11)13/h4-6,10,14H,2-3H2,1H3
InChIKeyAQONFFCQOGMEPY-UHFFFAOYSA-N
MW258.22 g/mol
LogP2.46
Rot. Bonds3

About N-(2,6-difluoro-4-nitrophenyl)-2-methyloxolan-3-amine

N-(2,6-difluoro-4-nitrophenyl)-2-methyloxolan-3-amine (PubChem CID 103873049) has the molecular formula C11H12F2N2O3 and a molecular weight of 258.22 g/mol. Its IUPAC name is N-(2,6-difluoro-4-nitrophenyl)-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-(2,6-difluoro-4-nitrophenyl)-2-methyloxolan-3-amine
PubChem CID103873049
Molecular FormulaC11H12F2N2O3
Molecular Weight258.22 g/mol
Exact Mass258.08
IUPAC NameN-(2,6-difluoro-4-nitrophenyl)-2-methyloxolan-3-amine
SMILESCC1OCCC1Nc1c(F)cc([N+](=O)[O-])cc1F
InChIInChI=1S/C11H12F2N2O3/c1-6-10(2-3-18-6)14-11-8(12)4-7(15(16)17)5-9(11)13/h4-6,10,14H,2-3H2,1H3
InChIKeyAQONFFCQOGMEPY-UHFFFAOYSA-N
XLogP2.46
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 52.46
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

N-(4-bromo-2,6-difluorophenyl)-2-methyloxolan-3-amine
CID 82717356
2-methyl-N-(2,3,5,6-tetrafluorophenyl)oxolan-3-amine
CID 107643833
2,6-difluoro-N-(3-methylcyclobutyl)-4-nitroaniline
CID 103828704
N-(2-chloro-4-nitrophenyl)-2-methyloxolan-3-amine
CID 82727218
N-(2-cyclopropylpropan-2-yl)-2,6-difluoro-4-nitroaniline
CID 103828666
N-(3-iodo-4-nitrophenyl)-2-methyloxolan-3-amine
CID 103873043
N-(4-bromo-3-nitrophenyl)-2-methyloxolan-3-amine
CID 82718581
2,6-difluoro-N-(3-methylsulfanylcyclohexyl)-4-nitroaniline
CID 103828636
N-(3-fluoro-5-nitrophenyl)-2-methyloxan-4-amine
CID 107334492
(2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine
CID 97358475
2,6-difluoro-N-[(2-methylcyclopropyl)methyl]-4-nitroaniline
CID 103828448
N-(2,6-difluoro-4-nitrophenyl)-3-methyloxolan-3-amine
CID 113338219

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-4-nitrophenyl)-2-methyloxolan-3-amine?
The IUPAC name of N-(2,6-difluoro-4-nitrophenyl)-2-methyloxolan-3-amine (CID 103873049) is N-(2,6-difluoro-4-nitrophenyl)-2-methyloxolan-3-amine.
What is the SMILES notation for N-(2,6-difluoro-4-nitrophenyl)-2-methyloxolan-3-amine?
The canonical SMILES for N-(2,6-difluoro-4-nitrophenyl)-2-methyloxolan-3-amine is CC1OCCC1Nc1c(F)cc([N+](=O)[O-])cc1F.
What is the InChIKey of N-(2,6-difluoro-4-nitrophenyl)-2-methyloxolan-3-amine?
The InChIKey is AQONFFCQOGMEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3/c1-6-10(2-3-18-6)14-11-8(12)4-7(15(16)17)5-9(11)13/h4-6,10,14H,2-3H2,1H3.
What are the key properties of N-(2,6-difluoro-4-nitrophenyl)-2-methyloxolan-3-amine?
N-(2,6-difluoro-4-nitrophenyl)-2-methyloxolan-3-amine has a molecular weight of 258.22 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-4-nitrophenyl)-2-methyloxolan-3-amine is sourced from PubChem (CID 103873049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).