3-chloro-5-(trifluoromethyl)benzene-1,2-diamine

C7H6ClF3N2 — CID 735784

IUPAC3-chloro-5-(trifluoromethyl)benzene-1,2-diamine
SMILESNc1cc(C(F)(F)F)cc(Cl)c1N
InChIInChI=1S/C7H6ClF3N2/c8-4-1-3(7(9,10)11)2-5(12)6(4)13/h1-2H,12-13H2
InChIKeyNVNLHLRVSHJKBN-UHFFFAOYSA-N
MW210.59 g/mol
LogP2.52
Rot. Bonds

About 3-chloro-5-(trifluoromethyl)benzene-1,2-diamine

3-chloro-5-(trifluoromethyl)benzene-1,2-diamine (PubChem CID 735784) has the molecular formula C7H6ClF3N2 and a molecular weight of 210.59 g/mol. Its IUPAC name is 3-chloro-5-(trifluoromethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-5-(trifluoromethyl)benzene-1,2-diamine
PubChem CID735784
Molecular FormulaC7H6ClF3N2
Molecular Weight210.59 g/mol
Exact Mass210.02
IUPAC Name3-chloro-5-(trifluoromethyl)benzene-1,2-diamine
SMILESNc1cc(C(F)(F)F)cc(Cl)c1N
InChIInChI=1S/C7H6ClF3N2/c8-4-1-3(7(9,10)11)2-5(12)6(4)13/h1-2H,12-13H2
InChIKeyNVNLHLRVSHJKBN-UHFFFAOYSA-N
XLogP2.52
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.59
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(trifluoromethyl)benzene-1,2-diamine?
The IUPAC name of 3-chloro-5-(trifluoromethyl)benzene-1,2-diamine (CID 735784) is 3-chloro-5-(trifluoromethyl)benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-5-(trifluoromethyl)benzene-1,2-diamine?
The canonical SMILES for 3-chloro-5-(trifluoromethyl)benzene-1,2-diamine is Nc1cc(C(F)(F)F)cc(Cl)c1N.
What is the InChIKey of 3-chloro-5-(trifluoromethyl)benzene-1,2-diamine?
The InChIKey is NVNLHLRVSHJKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2/c8-4-1-3(7(9,10)11)2-5(12)6(4)13/h1-2H,12-13H2.
What are the key properties of 3-chloro-5-(trifluoromethyl)benzene-1,2-diamine?
3-chloro-5-(trifluoromethyl)benzene-1,2-diamine has a molecular weight of 210.59 g/mol, XLogP of 2.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(trifluoromethyl)benzene-1,2-diamine is sourced from PubChem (CID 735784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).