3-chloro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine

C11H14ClF3N2 — CID 55011400

IUPAC3-chloro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
SMILESCCCN(CC(F)(F)F)c1c(N)cccc1Cl
InChIInChI=1S/C11H14ClF3N2/c1-2-6-17(7-11(13,14)15)10-8(12)4-3-5-9(10)16/h3-5H,2,6-7,16H2,1H3
InChIKeyRDOWXBBMFSBMNM-UHFFFAOYSA-N
MW266.69 g/mol
LogP3.70
Rot. Bonds4

About 3-chloro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine

3-chloro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine (PubChem CID 55011400) has the molecular formula C11H14ClF3N2 and a molecular weight of 266.69 g/mol. Its IUPAC name is 3-chloro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
PubChem CID55011400
Molecular FormulaC11H14ClF3N2
Molecular Weight266.69 g/mol
Exact Mass266.08
IUPAC Name3-chloro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
SMILESCCCN(CC(F)(F)F)c1c(N)cccc1Cl
InChIInChI=1S/C11H14ClF3N2/c1-2-6-17(7-11(13,14)15)10-8(12)4-3-5-9(10)16/h3-5H,2,6-7,16H2,1H3
InChIKeyRDOWXBBMFSBMNM-UHFFFAOYSA-N
XLogP3.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 53.70
H-Bond Donors ≤ 51
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-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine?
The IUPAC name of 3-chloro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine (CID 55011400) is 3-chloro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine?
The canonical SMILES for 3-chloro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine is CCCN(CC(F)(F)F)c1c(N)cccc1Cl.
What is the InChIKey of 3-chloro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine?
The InChIKey is RDOWXBBMFSBMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2/c1-2-6-17(7-11(13,14)15)10-8(12)4-3-5-9(10)16/h3-5H,2,6-7,16H2,1H3.
What are the key properties of 3-chloro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine?
3-chloro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine has a molecular weight of 266.69 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine is sourced from PubChem (CID 55011400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).