N-but-3-en-2-yl-2,6-difluoro-4-nitroaniline

C10H10F2N2O2 — CID 103828733

IUPACN-but-3-en-2-yl-2,6-difluoro-4-nitroaniline
SMILESC=CC(C)Nc1c(F)cc([N+](=O)[O-])cc1F
InChIInChI=1S/C10H10F2N2O2/c1-3-6(2)13-10-8(11)4-7(14(15)16)5-9(10)12/h3-6,13H,1H2,2H3
InChIKeyDYNIIRAVIFBNFI-UHFFFAOYSA-N
MW228.20 g/mol
LogP2.86
Rot. Bonds4

About N-but-3-en-2-yl-2,6-difluoro-4-nitroaniline

N-but-3-en-2-yl-2,6-difluoro-4-nitroaniline (PubChem CID 103828733) has the molecular formula C10H10F2N2O2 and a molecular weight of 228.20 g/mol. Its IUPAC name is N-but-3-en-2-yl-2,6-difluoro-4-nitroaniline.

Molecular Properties

Compound NameN-but-3-en-2-yl-2,6-difluoro-4-nitroaniline
PubChem CID103828733
Molecular FormulaC10H10F2N2O2
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC NameN-but-3-en-2-yl-2,6-difluoro-4-nitroaniline
SMILESC=CC(C)Nc1c(F)cc([N+](=O)[O-])cc1F
InChIInChI=1S/C10H10F2N2O2/c1-3-6(2)13-10-8(11)4-7(14(15)16)5-9(10)12/h3-6,13H,1H2,2H3
InChIKeyDYNIIRAVIFBNFI-UHFFFAOYSA-N
XLogP2.86
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,6-difluoro-N-(1-methylsulfonylpropan-2-yl)-4-nitroaniline
CID 103828624
(2S)-2-(2,6-difluoro-4-nitroanilino)-3-methylbutanoic acid
CID 120964334
2,6-difluoro-4-nitro-N-pent-4-yn-2-ylaniline
CID 103828692
2,6-difluoro-N-[1-(2-fluorophenyl)ethyl]-4-nitroaniline
CID 103828365
2,6-difluoro-N-hexan-2-yl-4-nitroaniline
CID 114048000
5-bromo-N-but-3-en-2-yl-4-fluoro-2-nitroaniline
CID 116737336
2-(2,6-difluoro-4-nitroanilino)-N-ethylpropanamide
CID 103828384
2,6-difluoro-4-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]aniline
CID 103943095
2,6-difluoro-4-nitro-N-octan-4-ylaniline
CID 106026448
N-(2-fluoro-6-methyl-4-nitrophenyl)-4-methylbenzenesulfonamide
CID 169371685
N-but-3-en-2-yl-3-methyl-5-nitrothiophen-2-amine
CID 130978442
N-(3,3-dimethylbutyl)-2,6-difluoro-4-nitroaniline
CID 114048007

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-2,6-difluoro-4-nitroaniline?
The IUPAC name of N-but-3-en-2-yl-2,6-difluoro-4-nitroaniline (CID 103828733) is N-but-3-en-2-yl-2,6-difluoro-4-nitroaniline.
What is the SMILES notation for N-but-3-en-2-yl-2,6-difluoro-4-nitroaniline?
The canonical SMILES for N-but-3-en-2-yl-2,6-difluoro-4-nitroaniline is C=CC(C)Nc1c(F)cc([N+](=O)[O-])cc1F.
What is the InChIKey of N-but-3-en-2-yl-2,6-difluoro-4-nitroaniline?
The InChIKey is DYNIIRAVIFBNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O2/c1-3-6(2)13-10-8(11)4-7(14(15)16)5-9(10)12/h3-6,13H,1H2,2H3.
What are the key properties of N-but-3-en-2-yl-2,6-difluoro-4-nitroaniline?
N-but-3-en-2-yl-2,6-difluoro-4-nitroaniline has a molecular weight of 228.20 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-2,6-difluoro-4-nitroaniline is sourced from PubChem (CID 103828733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).