[3-(3-chloro-5-fluorophenyl)-4-fluorophenyl]methanamine

C13H10ClF2N — CID 113324837

IUPAC[3-(3-chloro-5-fluorophenyl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)c(-c2cc(F)cc(Cl)c2)c1
InChIInChI=1S/C13H10ClF2N/c14-10-4-9(5-11(15)6-10)12-3-8(7-17)1-2-13(12)16/h1-6H,7,17H2
InChIKeyCZIQIKHAYTZLCN-UHFFFAOYSA-N
MW253.68 g/mol
LogP3.74
Rot. Bonds2

About [3-(3-chloro-5-fluorophenyl)-4-fluorophenyl]methanamine

[3-(3-chloro-5-fluorophenyl)-4-fluorophenyl]methanamine (PubChem CID 113324837) has the molecular formula C13H10ClF2N and a molecular weight of 253.68 g/mol. Its IUPAC name is [3-(3-chloro-5-fluorophenyl)-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-(3-chloro-5-fluorophenyl)-4-fluorophenyl]methanamine
PubChem CID113324837
Molecular FormulaC13H10ClF2N
Molecular Weight253.68 g/mol
Exact Mass253.05
IUPAC Name[3-(3-chloro-5-fluorophenyl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)c(-c2cc(F)cc(Cl)c2)c1
InChIInChI=1S/C13H10ClF2N/c14-10-4-9(5-11(15)6-10)12-3-8(7-17)1-2-13(12)16/h1-6H,7,17H2
InChIKeyCZIQIKHAYTZLCN-UHFFFAOYSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-fluoro-3-(3-fluorophenyl)phenyl]methanamine
CID 46312433
[3-(2,4-dichlorophenyl)-5-fluorophenyl]methanamine
CID 134631440
[4-(3-chloro-5-fluorophenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
CID 176508497
[3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine
CID 61271772
3-(3-chloro-5-fluorophenyl)-4-fluorobenzonitrile
CID 172915301
[3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine
CID 54910650
1-chloro-3-(2-chloro-4-fluorophenyl)-5-fluorobenzene
CID 173442446
[4-chloro-3-(4-fluorophenyl)phenyl]methanamine
CID 39231998
[4-(3,5-difluorophenyl)-3-methylphenyl]methanamine
CID 66479617
2-[3-(3-chlorophenyl)-4-fluorophenyl]ethanamine
CID 115046585
[3-(2,3-dichlorophenyl)-4-fluorophenyl]methanamine
CID 54912158
(4-fluoro-3-naphthalen-2-ylphenyl)methanamine
CID 54912183

Frequently Asked Questions

What is the IUPAC name of [3-(3-chloro-5-fluorophenyl)-4-fluorophenyl]methanamine?
The IUPAC name of [3-(3-chloro-5-fluorophenyl)-4-fluorophenyl]methanamine (CID 113324837) is [3-(3-chloro-5-fluorophenyl)-4-fluorophenyl]methanamine.
What is the SMILES notation for [3-(3-chloro-5-fluorophenyl)-4-fluorophenyl]methanamine?
The canonical SMILES for [3-(3-chloro-5-fluorophenyl)-4-fluorophenyl]methanamine is NCc1ccc(F)c(-c2cc(F)cc(Cl)c2)c1.
What is the InChIKey of [3-(3-chloro-5-fluorophenyl)-4-fluorophenyl]methanamine?
The InChIKey is CZIQIKHAYTZLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2N/c14-10-4-9(5-11(15)6-10)12-3-8(7-17)1-2-13(12)16/h1-6H,7,17H2.
What are the key properties of [3-(3-chloro-5-fluorophenyl)-4-fluorophenyl]methanamine?
[3-(3-chloro-5-fluorophenyl)-4-fluorophenyl]methanamine has a molecular weight of 253.68 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chloro-5-fluorophenyl)-4-fluorophenyl]methanamine is sourced from PubChem (CID 113324837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).