(2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine

C13H8ClF4N — CID 43198689

IUPAC(2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine
SMILESNC(c1ccc(F)cc1Cl)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H8ClF4N/c14-9-3-6(15)1-2-8(9)13(19)12-10(17)4-7(16)5-11(12)18/h1-5,13H,19H2
InChIKeyGLQLTICWQYPWRF-UHFFFAOYSA-N
MW289.66 g/mol
LogP3.94
Rot. Bonds2

About (2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine

(2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine (PubChem CID 43198689) has the molecular formula C13H8ClF4N and a molecular weight of 289.66 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine
PubChem CID43198689
Molecular FormulaC13H8ClF4N
Molecular Weight289.66 g/mol
Exact Mass289.03
IUPAC Name(2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine
SMILESNC(c1ccc(F)cc1Cl)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H8ClF4N/c14-9-3-6(15)1-2-8(9)13(19)12-10(17)4-7(16)5-11(12)18/h1-5,13H,19H2
InChIKeyGLQLTICWQYPWRF-UHFFFAOYSA-N
XLogP3.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.66
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanol
CID 61089185
(2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344688
(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methanamine
CID 62945856
(2,4-dichlorophenyl)-(2,5-difluorophenyl)methanamine
CID 43197872
(2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine
CID 105394907
1-(2-chloro-4-fluorophenyl)ethanamine
CID 18542888
1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine
CID 55152610
(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine
CID 80530924
(2-chloro-4-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299325
1-(2-chloro-4-fluorophenyl)ethane-1,2-diamine
CID 55270283
1-(2-chloro-4-fluorophenyl)-3-methylbutan-1-amine
CID 62945198
(2,6-dichlorophenyl)-(2,5-difluorophenyl)methanamine
CID 43197833

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine?
The IUPAC name of (2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine (CID 43198689) is (2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine?
The canonical SMILES for (2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine is NC(c1ccc(F)cc1Cl)c1c(F)cc(F)cc1F.
What is the InChIKey of (2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine?
The InChIKey is GLQLTICWQYPWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF4N/c14-9-3-6(15)1-2-8(9)13(19)12-10(17)4-7(16)5-11(12)18/h1-5,13H,19H2.
What are the key properties of (2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine?
(2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine has a molecular weight of 289.66 g/mol, XLogP of 3.94, 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)-(2,4,6-trifluorophenyl)methanamine is sourced from PubChem (CID 43198689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).