4-(dichloromethoxy)-2,3,5,6-tetrafluoroaniline

C7H3Cl2F4NO — CID 140996627

IUPAC4-(dichloromethoxy)-2,3,5,6-tetrafluoroaniline
SMILESNc1c(F)c(F)c(OC(Cl)Cl)c(F)c1F
InChIInChI=1S/C7H3Cl2F4NO/c8-7(9)15-6-3(12)1(10)5(14)2(11)4(6)13/h7H,14H2
InChIKeyNHVVSZHORHKORT-UHFFFAOYSA-N
MW264.00 g/mol
LogP2.97
Rot. Bonds2

About 4-(dichloromethoxy)-2,3,5,6-tetrafluoroaniline

4-(dichloromethoxy)-2,3,5,6-tetrafluoroaniline (PubChem CID 140996627) has the molecular formula C7H3Cl2F4NO and a molecular weight of 264.00 g/mol. Its IUPAC name is 4-(dichloromethoxy)-2,3,5,6-tetrafluoroaniline.

Molecular Properties

Compound Name4-(dichloromethoxy)-2,3,5,6-tetrafluoroaniline
PubChem CID140996627
Molecular FormulaC7H3Cl2F4NO
Molecular Weight264.00 g/mol
Exact Mass262.95
IUPAC Name4-(dichloromethoxy)-2,3,5,6-tetrafluoroaniline
SMILESNc1c(F)c(F)c(OC(Cl)Cl)c(F)c1F
InChIInChI=1S/C7H3Cl2F4NO/c8-7(9)15-6-3(12)1(10)5(14)2(11)4(6)13/h7H,14H2
InChIKeyNHVVSZHORHKORT-UHFFFAOYSA-N
XLogP2.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.00
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

azane;2,3,4,5,6-pentafluoroaniline
CID 172821602
1,2,3,4,5-pentafluoro-6-propan-2-yloxybenzene
CID 13411834
1,2-dichloro-4-(difluoromethoxy)-3,5,6-trifluorobenzene
CID 118835991
chloroform;1,2,3,4,5,6-hexafluorobenzene
CID 88844681
4-[2-(4-amino-2,3,5-trifluoro-6-methylphenoxy)phenoxy]-2,3,6-trifluoro-5-methylaniline
CID 22058912
4-[2-(4-amino-2,3,5,6-tetrafluorophenyl)-1,1,1,3,3,3-hexachloropropan-2-yl]-2,3,5,6-tetrafluoroaniline
CID 18365782
3-amino-2,4,5,6-tetrafluorophenol
CID 12558020
(2,3,4,5,6-pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)phosphanium
CID 132529451
4-(3,4-diamino-2,5,6-trifluorophenyl)sulfanyl-3,5,6-trifluorobenzene-1,2-diamine
CID 71391291
N'-hydroxy-2-(2,3,4,5,6-pentafluorophenoxy)propanimidamide
CID 76915183
2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-iodophenyl)aniline
CID 130427136
2,3,5,6-tetrafluoropyridin-1-ium-4-amine
CID 135790014

Frequently Asked Questions

What is the IUPAC name of 4-(dichloromethoxy)-2,3,5,6-tetrafluoroaniline?
The IUPAC name of 4-(dichloromethoxy)-2,3,5,6-tetrafluoroaniline (CID 140996627) is 4-(dichloromethoxy)-2,3,5,6-tetrafluoroaniline.
What is the SMILES notation for 4-(dichloromethoxy)-2,3,5,6-tetrafluoroaniline?
The canonical SMILES for 4-(dichloromethoxy)-2,3,5,6-tetrafluoroaniline is Nc1c(F)c(F)c(OC(Cl)Cl)c(F)c1F.
What is the InChIKey of 4-(dichloromethoxy)-2,3,5,6-tetrafluoroaniline?
The InChIKey is NHVVSZHORHKORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2F4NO/c8-7(9)15-6-3(12)1(10)5(14)2(11)4(6)13/h7H,14H2.
What are the key properties of 4-(dichloromethoxy)-2,3,5,6-tetrafluoroaniline?
4-(dichloromethoxy)-2,3,5,6-tetrafluoroaniline has a molecular weight of 264.00 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dichloromethoxy)-2,3,5,6-tetrafluoroaniline is sourced from PubChem (CID 140996627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).