N-[(E)-but-2-enyl]-2,3,4,5,6-pentafluoroaniline

C10H8F5N — CID 107899168

IUPACN-[(E)-but-2-enyl]-2,3,4,5,6-pentafluoroaniline
SMILESC/C=C/CNc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H8F5N/c1-2-3-4-16-10-8(14)6(12)5(11)7(13)9(10)15/h2-3,16H,4H2,1H3/b3-2+
InChIKeyJOLKDBYNFPXJGB-NSCUHMNNSA-N
MW237.17 g/mol
LogP3.37
Rot. Bonds3

About N-[(E)-but-2-enyl]-2,3,4,5,6-pentafluoroaniline

N-[(E)-but-2-enyl]-2,3,4,5,6-pentafluoroaniline (PubChem CID 107899168) has the molecular formula C10H8F5N and a molecular weight of 237.17 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2,3,4,5,6-pentafluoroaniline.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2,3,4,5,6-pentafluoroaniline
PubChem CID107899168
Molecular FormulaC10H8F5N
Molecular Weight237.17 g/mol
Exact Mass237.06
IUPAC NameN-[(E)-but-2-enyl]-2,3,4,5,6-pentafluoroaniline
SMILESC/C=C/CNc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H8F5N/c1-2-3-4-16-10-8(14)6(12)5(11)7(13)9(10)15/h2-3,16H,4H2,1H3/b3-2+
InChIKeyJOLKDBYNFPXJGB-NSCUHMNNSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.17
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethane;(E)-N-methylbut-2-en-1-amine
CID 157191790
5-bromo-N-[(E)-but-2-enyl]-2,4-difluoroaniline
CID 107899325
2-(2,3,4,5,6-pentafluoroanilino)acetonitrile
CID 115564372
2-bromo-N-[(E)-but-2-enyl]-5-fluoroaniline
CID 107899369
3-bromo-N-[(E)-but-2-enyl]-4-fluoroaniline
CID 107899240
N-(3-chloro-2-methylprop-2-enyl)-2,3,4,5,6-pentafluoroaniline
CID 114188786
N-[(E)-but-2-enyl]-4-chloroaniline
CID 10821279
2,3,4,5,6-pentafluoro-N-(triethoxysilylmethyl)aniline
CID 90172770
4-[[(E)-but-2-enyl]amino]-3-fluoro-N-methylbenzamide;ethane
CID 178011522
3-(but-2-enylamino)cyclobut-3-ene-1,2-dione
CID 56620432
2-bromo-N-[(E)-but-2-enyl]aniline
CID 12064676
6-bromo-N-[(E)-but-2-enyl]pyridin-2-amine
CID 131242535

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-2,3,4,5,6-pentafluoroaniline?
The IUPAC name of N-[(E)-but-2-enyl]-2,3,4,5,6-pentafluoroaniline (CID 107899168) is N-[(E)-but-2-enyl]-2,3,4,5,6-pentafluoroaniline.
What is the SMILES notation for N-[(E)-but-2-enyl]-2,3,4,5,6-pentafluoroaniline?
The canonical SMILES for N-[(E)-but-2-enyl]-2,3,4,5,6-pentafluoroaniline is C/C=C/CNc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-[(E)-but-2-enyl]-2,3,4,5,6-pentafluoroaniline?
The InChIKey is JOLKDBYNFPXJGB-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H8F5N/c1-2-3-4-16-10-8(14)6(12)5(11)7(13)9(10)15/h2-3,16H,4H2,1H3/b3-2+.
What are the key properties of N-[(E)-but-2-enyl]-2,3,4,5,6-pentafluoroaniline?
N-[(E)-but-2-enyl]-2,3,4,5,6-pentafluoroaniline has a molecular weight of 237.17 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-2,3,4,5,6-pentafluoroaniline is sourced from PubChem (CID 107899168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).