3-(2,6-dichlorophenyl)-1,1-difluoropropan-2-amine

C9H9Cl2F2N — CID 103759791

IUPAC3-(2,6-dichlorophenyl)-1,1-difluoropropan-2-amine
SMILESNC(Cc1c(Cl)cccc1Cl)C(F)F
InChIInChI=1S/C9H9Cl2F2N/c10-6-2-1-3-7(11)5(6)4-8(14)9(12)13/h1-3,8-9H,4,14H2
InChIKeyGMOSDSLNBIYNJT-UHFFFAOYSA-N
MW240.08 g/mol
LogP3.13
Rot. Bonds3

About 3-(2,6-dichlorophenyl)-1,1-difluoropropan-2-amine

3-(2,6-dichlorophenyl)-1,1-difluoropropan-2-amine (PubChem CID 103759791) has the molecular formula C9H9Cl2F2N and a molecular weight of 240.08 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-1,1-difluoropropan-2-amine.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-1,1-difluoropropan-2-amine
PubChem CID103759791
Molecular FormulaC9H9Cl2F2N
Molecular Weight240.08 g/mol
Exact Mass239.01
IUPAC Name3-(2,6-dichlorophenyl)-1,1-difluoropropan-2-amine
SMILESNC(Cc1c(Cl)cccc1Cl)C(F)F
InChIInChI=1S/C9H9Cl2F2N/c10-6-2-1-3-7(11)5(6)4-8(14)9(12)13/h1-3,8-9H,4,14H2
InChIKeyGMOSDSLNBIYNJT-UHFFFAOYSA-N
XLogP3.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.08
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-amino-3-methylbutyl)-3-chlorophenol
CID 115347401
2-(2,6-dichlorophenyl)-1-phenylethanamine
CID 55133818
2-amino-3-(2,6-dichlorophenyl)propan-1-ol
CID 18387991
1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 64713656
2-(2,6-dichlorophenyl)-1-nitrosoethanamine
CID 165356359
1-(4-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine
CID 107884616
(1R)-1-(2,6-dichlorophenyl)-2,2-difluoroethanamine
CID 130739555
2-[(2,6-dichlorophenyl)methyl]propanedioic acid
CID 170895382
3-(4-chlorophenyl)-1,1-difluoropropan-2-amine
CID 84673763
2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethanamine
CID 62602413
1-(2,6-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-amine
CID 116725191
2-(2,6-dichlorophenyl)-1-(3,4-difluorophenyl)ethanamine
CID 62600681

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-1,1-difluoropropan-2-amine?
The IUPAC name of 3-(2,6-dichlorophenyl)-1,1-difluoropropan-2-amine (CID 103759791) is 3-(2,6-dichlorophenyl)-1,1-difluoropropan-2-amine.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-1,1-difluoropropan-2-amine?
The canonical SMILES for 3-(2,6-dichlorophenyl)-1,1-difluoropropan-2-amine is NC(Cc1c(Cl)cccc1Cl)C(F)F.
What is the InChIKey of 3-(2,6-dichlorophenyl)-1,1-difluoropropan-2-amine?
The InChIKey is GMOSDSLNBIYNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2F2N/c10-6-2-1-3-7(11)5(6)4-8(14)9(12)13/h1-3,8-9H,4,14H2.
What are the key properties of 3-(2,6-dichlorophenyl)-1,1-difluoropropan-2-amine?
3-(2,6-dichlorophenyl)-1,1-difluoropropan-2-amine has a molecular weight of 240.08 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-1,1-difluoropropan-2-amine is sourced from PubChem (CID 103759791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).