2-chloro-N-propyl-5-(trifluoromethyl)aniline

C10H11ClF3N — CID 18322289

IUPAC2-chloro-N-propyl-5-(trifluoromethyl)aniline
SMILESCCCNc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C10H11ClF3N/c1-2-5-15-9-6-7(10(12,13)14)3-4-8(9)11/h3-4,6,15H,2,5H2,1H3
InChIKeyXHEAHOVMOQPGOZ-UHFFFAOYSA-N
MW237.65 g/mol
LogP4.18
Rot. Bonds3

About 2-chloro-N-propyl-5-(trifluoromethyl)aniline

2-chloro-N-propyl-5-(trifluoromethyl)aniline (PubChem CID 18322289) has the molecular formula C10H11ClF3N and a molecular weight of 237.65 g/mol. Its IUPAC name is 2-chloro-N-propyl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-propyl-5-(trifluoromethyl)aniline
PubChem CID18322289
Molecular FormulaC10H11ClF3N
Molecular Weight237.65 g/mol
Exact Mass237.05
IUPAC Name2-chloro-N-propyl-5-(trifluoromethyl)aniline
SMILESCCCNc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C10H11ClF3N/c1-2-5-15-9-6-7(10(12,13)14)3-4-8(9)11/h3-4,6,15H,2,5H2,1H3
InChIKeyXHEAHOVMOQPGOZ-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propyl-5-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-propyl-5-(trifluoromethyl)aniline (CID 18322289) is 2-chloro-N-propyl-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-propyl-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-propyl-5-(trifluoromethyl)aniline is CCCNc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-propyl-5-(trifluoromethyl)aniline?
The InChIKey is XHEAHOVMOQPGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N/c1-2-5-15-9-6-7(10(12,13)14)3-4-8(9)11/h3-4,6,15H,2,5H2,1H3.
What are the key properties of 2-chloro-N-propyl-5-(trifluoromethyl)aniline?
2-chloro-N-propyl-5-(trifluoromethyl)aniline has a molecular weight of 237.65 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propyl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 18322289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).