2-(3,4-difluorophenyl)-N-(2-nitrophenyl)oxolan-3-amine

C16H14F2N2O3 — CID 133435198

IUPAC2-(3,4-difluorophenyl)-N-(2-nitrophenyl)oxolan-3-amine
SMILESO=[N+]([O-])c1ccccc1NC1CCOC1c1ccc(F)c(F)c1
InChIInChI=1S/C16H14F2N2O3/c17-11-6-5-10(9-12(11)18)16-14(7-8-23-16)19-13-3-1-2-4-15(13)20(21)22/h1-6,9,14,16,19H,7-8H2
InChIKeyLECIFEUYDQYQJO-UHFFFAOYSA-N
MW320.30 g/mol
LogP3.82
Rot. Bonds4

About 2-(3,4-difluorophenyl)-N-(2-nitrophenyl)oxolan-3-amine

2-(3,4-difluorophenyl)-N-(2-nitrophenyl)oxolan-3-amine (PubChem CID 133435198) has the molecular formula C16H14F2N2O3 and a molecular weight of 320.30 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-(2-nitrophenyl)oxolan-3-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-(2-nitrophenyl)oxolan-3-amine
PubChem CID133435198
Molecular FormulaC16H14F2N2O3
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC Name2-(3,4-difluorophenyl)-N-(2-nitrophenyl)oxolan-3-amine
SMILESO=[N+]([O-])c1ccccc1NC1CCOC1c1ccc(F)c(F)c1
InChIInChI=1S/C16H14F2N2O3/c17-11-6-5-10(9-12(11)18)16-14(7-8-23-16)19-13-3-1-2-4-15(13)20(21)22/h1-6,9,14,16,19H,7-8H2
InChIKeyLECIFEUYDQYQJO-UHFFFAOYSA-N
XLogP3.82
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 53.82
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-N-[(2R,3S)-2-(3,4-difluorophenyl)oxolan-3-yl]-4-nitrobenzene-1,3-diamine
CID 124626280
2-(3,4-difluorophenyl)-N-(4-methylsulfonyl-2-nitrophenyl)oxolan-3-amine
CID 133435348
4-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-3-nitro-N-propan-2-ylbenzamide
CID 133435316
methyl (E)-3-[4-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-3-nitrophenyl]prop-2-enoate
CID 133435317
ethyl 2-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-3-nitropyridine-4-carboxylate
CID 133435286
3,4-difluoro-N-(2-nitrophenyl)aniline
CID 59560768
4-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-4-oxobutanoic acid
CID 120552158
2-(3,4-difluorophenyl)oxolan-3-amine
CID 71683254
(2R,3S)-2-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)oxolan-3-amine
CID 97336723
6-chloro-4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]pyrimidine-2,4-diamine
CID 133435463
N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133435266
N-(2,3-dimethylcyclohexyl)-2-nitroaniline
CID 43078427

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-(2-nitrophenyl)oxolan-3-amine?
The IUPAC name of 2-(3,4-difluorophenyl)-N-(2-nitrophenyl)oxolan-3-amine (CID 133435198) is 2-(3,4-difluorophenyl)-N-(2-nitrophenyl)oxolan-3-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-(2-nitrophenyl)oxolan-3-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-(2-nitrophenyl)oxolan-3-amine is O=[N+]([O-])c1ccccc1NC1CCOC1c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-(2-nitrophenyl)oxolan-3-amine?
The InChIKey is LECIFEUYDQYQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O3/c17-11-6-5-10(9-12(11)18)16-14(7-8-23-16)19-13-3-1-2-4-15(13)20(21)22/h1-6,9,14,16,19H,7-8H2.
What are the key properties of 2-(3,4-difluorophenyl)-N-(2-nitrophenyl)oxolan-3-amine?
2-(3,4-difluorophenyl)-N-(2-nitrophenyl)oxolan-3-amine has a molecular weight of 320.30 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-(2-nitrophenyl)oxolan-3-amine is sourced from PubChem (CID 133435198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).