N-(3-chloro-2-methylprop-2-enyl)-2,3,4,5,6-pentafluoroaniline

C10H7ClF5N — CID 114188786

IUPACN-(3-chloro-2-methylprop-2-enyl)-2,3,4,5,6-pentafluoroaniline
SMILESCC(=CCl)CNc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H7ClF5N/c1-4(2-11)3-17-10-8(15)6(13)5(12)7(14)9(10)16/h2,17H,3H2,1H3
InChIKeyDBWSIWBSUVGTRB-UHFFFAOYSA-N
MW271.62 g/mol
LogP3.94
Rot. Bonds3

About N-(3-chloro-2-methylprop-2-enyl)-2,3,4,5,6-pentafluoroaniline

N-(3-chloro-2-methylprop-2-enyl)-2,3,4,5,6-pentafluoroaniline (PubChem CID 114188786) has the molecular formula C10H7ClF5N and a molecular weight of 271.62 g/mol. Its IUPAC name is N-(3-chloro-2-methylprop-2-enyl)-2,3,4,5,6-pentafluoroaniline.

Molecular Properties

Compound NameN-(3-chloro-2-methylprop-2-enyl)-2,3,4,5,6-pentafluoroaniline
PubChem CID114188786
Molecular FormulaC10H7ClF5N
Molecular Weight271.62 g/mol
Exact Mass271.02
IUPAC NameN-(3-chloro-2-methylprop-2-enyl)-2,3,4,5,6-pentafluoroaniline
SMILESCC(=CCl)CNc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H7ClF5N/c1-4(2-11)3-17-10-8(15)6(13)5(12)7(14)9(10)16/h2,17H,3H2,1H3
InChIKeyDBWSIWBSUVGTRB-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.62
LogP ≤ 53.94
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'}

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Related Compounds

N-ethyl-2,3,4,5,6-pentafluoroaniline
CID 10889182
N-(1,6-difluorohexyl)-2,3,4,5,6-pentafluoroaniline
CID 22349000
N-(1,2-difluorohexyl)-2,3,4,5,6-pentafluoroaniline
CID 22349022
N-butyl-2,3,4,5,6-pentafluoroaniline
CID 28514309
2,3,4,5,6-pentafluoro-N-pentylaniline
CID 29046640
2,3,4,5,6-pentafluoro-N-propylaniline
CID 29546616
2,3,4,5,6-pentafluoro-N-propan-2-ylaniline
CID 29556516
2,3,4,5,6-pentafluoro-N-hexylaniline
CID 64182719
N-ethyl-2,4,6-trifluoroaniline
CID 65661074
2,4,6-trifluoro-N-(2-methylpropyl)aniline
CID 65662741
2,4,6-trifluoro-N-propylaniline
CID 65663463
N-ethyl-2,3,5,6-tetrafluoroaniline
CID 107643264

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylprop-2-enyl)-2,3,4,5,6-pentafluoroaniline?
The IUPAC name of N-(3-chloro-2-methylprop-2-enyl)-2,3,4,5,6-pentafluoroaniline (CID 114188786) is N-(3-chloro-2-methylprop-2-enyl)-2,3,4,5,6-pentafluoroaniline.
What is the SMILES notation for N-(3-chloro-2-methylprop-2-enyl)-2,3,4,5,6-pentafluoroaniline?
The canonical SMILES for N-(3-chloro-2-methylprop-2-enyl)-2,3,4,5,6-pentafluoroaniline is CC(=CCl)CNc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-(3-chloro-2-methylprop-2-enyl)-2,3,4,5,6-pentafluoroaniline?
The InChIKey is DBWSIWBSUVGTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF5N/c1-4(2-11)3-17-10-8(15)6(13)5(12)7(14)9(10)16/h2,17H,3H2,1H3.
What are the key properties of N-(3-chloro-2-methylprop-2-enyl)-2,3,4,5,6-pentafluoroaniline?
N-(3-chloro-2-methylprop-2-enyl)-2,3,4,5,6-pentafluoroaniline has a molecular weight of 271.62 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylprop-2-enyl)-2,3,4,5,6-pentafluoroaniline is sourced from PubChem (CID 114188786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).