(4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine

C13H9Cl3FN — CID 107991698

IUPAC(4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine
SMILESNC(c1ccc(Cl)c(F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl3FN/c14-9-3-1-7(5-11(9)16)13(18)8-2-4-10(15)12(17)6-8/h1-6,13H,18H2
InChIKeyPTAGBADKGYRAPV-UHFFFAOYSA-N
MW304.58 g/mol
LogP4.83
Rot. Bonds2

About (4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine

(4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine (PubChem CID 107991698) has the molecular formula C13H9Cl3FN and a molecular weight of 304.58 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine
PubChem CID107991698
Molecular FormulaC13H9Cl3FN
Molecular Weight304.58 g/mol
Exact Mass302.98
IUPAC Name(4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine
SMILESNC(c1ccc(Cl)c(F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl3FN/c14-9-3-1-7(5-11(9)16)13(18)8-2-4-10(15)12(17)6-8/h1-6,13H,18H2
InChIKeyPTAGBADKGYRAPV-UHFFFAOYSA-N
XLogP4.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.58
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 114025088
(3,4-dichlorophenyl)-(4-fluorophenyl)methanamine
CID 43184820
(4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107996089
(4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 114025071
(4-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 114024968
4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2-dichlorobenzene
CID 107991747
(4-chloro-3-fluorophenyl)-(3-fluoro-5-methylphenyl)methanamine
CID 107994515
(R)-(4-chloro-3-fluorophenyl)-thiophen-3-ylmethanamine
CID 171229047
(4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 107992884
(S)-(4-chloro-3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanamine
CID 71165432
(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 107993240
1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 107991696

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine?
The IUPAC name of (4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine (CID 107991698) is (4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine.
What is the SMILES notation for (4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine?
The canonical SMILES for (4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine is NC(c1ccc(Cl)c(F)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine?
The InChIKey is PTAGBADKGYRAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3FN/c14-9-3-1-7(5-11(9)16)13(18)8-2-4-10(15)12(17)6-8/h1-6,13H,18H2.
What are the key properties of (4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine?
(4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine has a molecular weight of 304.58 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine is sourced from PubChem (CID 107991698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).