(2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine

C13H9Cl3FN — CID 43344688

IUPAC(2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine
SMILESNC(c1ccc(F)cc1Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9Cl3FN/c14-7-1-4-11(15)10(5-7)13(18)9-3-2-8(17)6-12(9)16/h1-6,13H,18H2
InChIKeyXHRGDWSMMVBLSQ-UHFFFAOYSA-N
MW304.58 g/mol
LogP4.83
Rot. Bonds2

About (2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine

(2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine (PubChem CID 43344688) has the molecular formula C13H9Cl3FN and a molecular weight of 304.58 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine
PubChem CID43344688
Molecular FormulaC13H9Cl3FN
Molecular Weight304.58 g/mol
Exact Mass302.98
IUPAC Name(2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine
SMILESNC(c1ccc(F)cc1Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9Cl3FN/c14-7-1-4-11(15)10(5-7)13(18)9-3-2-8(17)6-12(9)16/h1-6,13H,18H2
InChIKeyXHRGDWSMMVBLSQ-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

(2,4-dichlorophenyl)-(2,5-difluorophenyl)methanamine
CID 43197872
(5-chloro-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344675
(2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine
CID 105394907
(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methanamine
CID 62945856
(2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 43198689
(2-chloro-5-fluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine
CID 105396862
(2-chloro-5-fluorophenyl)-(4-chlorophenyl)methanamine
CID 105394650
(5-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344673
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanamine
CID 43197530
(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43378974
(4-chloronaphthalen-1-yl)-(2,5-dichlorophenyl)methanamine
CID 79592111
(2-chloro-4-fluoro-5-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 81045743

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine?
The IUPAC name of (2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine (CID 43344688) is (2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine?
The canonical SMILES for (2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine is NC(c1ccc(F)cc1Cl)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine?
The InChIKey is XHRGDWSMMVBLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3FN/c14-7-1-4-11(15)10(5-7)13(18)9-3-2-8(17)6-12(9)16/h1-6,13H,18H2.
What are the key properties of (2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine?
(2-chloro-4-fluorophenyl)-(2,5-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 (2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine is sourced from PubChem (CID 43344688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).