2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-fluoroaniline

C11H8Cl2F3N3 — CID 83078879

IUPAC2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-fluoroaniline
SMILESFc1cc(Cl)c(NCc2nccn2C(F)F)c(Cl)c1
InChIInChI=1S/C11H8Cl2F3N3/c12-7-3-6(14)4-8(13)10(7)18-5-9-17-1-2-19(9)11(15)16/h1-4,11,18H,5H2
InChIKeyCSLNACMITBQTST-UHFFFAOYSA-N
MW310.11 g/mol
LogP4.34
Rot. Bonds4

About 2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-fluoroaniline

2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-fluoroaniline (PubChem CID 83078879) has the molecular formula C11H8Cl2F3N3 and a molecular weight of 310.11 g/mol. Its IUPAC name is 2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-fluoroaniline.

Molecular Properties

Compound Name2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-fluoroaniline
PubChem CID83078879
Molecular FormulaC11H8Cl2F3N3
Molecular Weight310.11 g/mol
Exact Mass309.00
IUPAC Name2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-fluoroaniline
SMILESFc1cc(Cl)c(NCc2nccn2C(F)F)c(Cl)c1
InChIInChI=1S/C11H8Cl2F3N3/c12-7-3-6(14)4-8(13)10(7)18-5-9-17-1-2-19(9)11(15)16/h1-4,11,18H,5H2
InChIKeyCSLNACMITBQTST-UHFFFAOYSA-N
XLogP4.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,1,3-benzothiadiazol-4-amine
CID 65475634
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,6-difluoroaniline
CID 43142893
2-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-iodoaniline
CID 113253408
2,6-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline
CID 107258242
2-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-nitroaniline
CID 133276568
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylaniline
CID 43111999
4-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxy-5-methylaniline
CID 43112044
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,5-difluoro-4-methylaniline
CID 103585765
2,6-dichloro-4-fluoro-N-(pyrimidin-2-ylmethyl)aniline
CID 83078218
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 43111962
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethoxyaniline
CID 43111998
3-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 71973366

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-fluoroaniline?
The IUPAC name of 2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-fluoroaniline (CID 83078879) is 2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-fluoroaniline.
What is the SMILES notation for 2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-fluoroaniline?
The canonical SMILES for 2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-fluoroaniline is Fc1cc(Cl)c(NCc2nccn2C(F)F)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-fluoroaniline?
The InChIKey is CSLNACMITBQTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2F3N3/c12-7-3-6(14)4-8(13)10(7)18-5-9-17-1-2-19(9)11(15)16/h1-4,11,18H,5H2.
What are the key properties of 2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-fluoroaniline?
2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-fluoroaniline has a molecular weight of 310.11 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-fluoroaniline is sourced from PubChem (CID 83078879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).