2-chloro-N-ethenyl-4-(trifluoromethyl)aniline

C9H7ClF3N — CID 172629453

IUPAC2-chloro-N-ethenyl-4-(trifluoromethyl)aniline
SMILESC=CNc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H7ClF3N/c1-2-14-8-4-3-6(5-7(8)10)9(11,12)13/h2-5,14H,1H2
InChIKeySAFPVYMSYDXHSG-UHFFFAOYSA-N
MW221.61 g/mol
LogP3.91
Rot. Bonds2

About 2-chloro-N-ethenyl-4-(trifluoromethyl)aniline

2-chloro-N-ethenyl-4-(trifluoromethyl)aniline (PubChem CID 172629453) has the molecular formula C9H7ClF3N and a molecular weight of 221.61 g/mol. Its IUPAC name is 2-chloro-N-ethenyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-ethenyl-4-(trifluoromethyl)aniline
PubChem CID172629453
Molecular FormulaC9H7ClF3N
Molecular Weight221.61 g/mol
Exact Mass221.02
IUPAC Name2-chloro-N-ethenyl-4-(trifluoromethyl)aniline
SMILESC=CNc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H7ClF3N/c1-2-14-8-4-3-6(5-7(8)10)9(11,12)13/h2-5,14H,1H2
InChIKeySAFPVYMSYDXHSG-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.61
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethenyl-4-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-ethenyl-4-(trifluoromethyl)aniline (CID 172629453) is 2-chloro-N-ethenyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-ethenyl-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-ethenyl-4-(trifluoromethyl)aniline is C=CNc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-N-ethenyl-4-(trifluoromethyl)aniline?
The InChIKey is SAFPVYMSYDXHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3N/c1-2-14-8-4-3-6(5-7(8)10)9(11,12)13/h2-5,14H,1H2.
What are the key properties of 2-chloro-N-ethenyl-4-(trifluoromethyl)aniline?
2-chloro-N-ethenyl-4-(trifluoromethyl)aniline has a molecular weight of 221.61 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethenyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 172629453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).