[2,4-dichloro-5-(trifluoromethyl)phenyl]methanamine

C8H6Cl2F3N — CID 171014545

IUPAC[2,4-dichloro-5-(trifluoromethyl)phenyl]methanamine
SMILESNCc1cc(C(F)(F)F)c(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2F3N/c9-6-2-7(10)5(8(11,12)13)1-4(6)3-14/h1-2H,3,14H2
InChIKeyRUPYPZPVNDQNFZ-UHFFFAOYSA-N
MW244.04 g/mol
LogP3.47
Rot. Bonds1

About [2,4-dichloro-5-(trifluoromethyl)phenyl]methanamine

[2,4-dichloro-5-(trifluoromethyl)phenyl]methanamine (PubChem CID 171014545) has the molecular formula C8H6Cl2F3N and a molecular weight of 244.04 g/mol. Its IUPAC name is [2,4-dichloro-5-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2,4-dichloro-5-(trifluoromethyl)phenyl]methanamine
PubChem CID171014545
Molecular FormulaC8H6Cl2F3N
Molecular Weight244.04 g/mol
Exact Mass242.98
IUPAC Name[2,4-dichloro-5-(trifluoromethyl)phenyl]methanamine
SMILESNCc1cc(C(F)(F)F)c(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2F3N/c9-6-2-7(10)5(8(11,12)13)1-4(6)3-14/h1-2H,3,14H2
InChIKeyRUPYPZPVNDQNFZ-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.04
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-bromo-4-chloro-5-(trifluoromethyl)phenyl]methanamine
CID 171014019
[2-chloro-4-methoxy-5-(trifluoromethyl)phenyl]methanamine
CID 171020934
5-(aminomethyl)-4-chloro-2-(trifluoromethyl)benzonitrile
CID 171015389
[2-chloro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 107289712
2,4-dichloro-5-(trifluoromethyl)benzenethiol
CID 121234788
[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 171009321
[4-amino-2-chloro-5-(trifluoromethyl)phenyl]methanol
CID 118806771
1-[2,4-dichloro-5-(trifluoromethyl)phenyl]ethanone
CID 119002578
[2-bromo-4-iodo-5-(trifluoromethyl)phenyl]methanamine
CID 171019851
[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]methanamine
CID 171016039
2-(aminomethyl)-4,5-bis(trifluoromethyl)benzaldehyde
CID 118846578
2-amino-5-chloro-4-(trifluoromethyl)benzenethiol
CID 82548296

Frequently Asked Questions

What is the IUPAC name of [2,4-dichloro-5-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [2,4-dichloro-5-(trifluoromethyl)phenyl]methanamine (CID 171014545) is [2,4-dichloro-5-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2,4-dichloro-5-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [2,4-dichloro-5-(trifluoromethyl)phenyl]methanamine is NCc1cc(C(F)(F)F)c(Cl)cc1Cl.
What is the InChIKey of [2,4-dichloro-5-(trifluoromethyl)phenyl]methanamine?
The InChIKey is RUPYPZPVNDQNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F3N/c9-6-2-7(10)5(8(11,12)13)1-4(6)3-14/h1-2H,3,14H2.
What are the key properties of [2,4-dichloro-5-(trifluoromethyl)phenyl]methanamine?
[2,4-dichloro-5-(trifluoromethyl)phenyl]methanamine has a molecular weight of 244.04 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dichloro-5-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 171014545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).