4-chloro-N-(1-cyclopropylethyl)-3-(trifluoromethyl)aniline

C12H13ClF3N — CID 43132882

IUPAC4-chloro-N-(1-cyclopropylethyl)-3-(trifluoromethyl)aniline
SMILESCC(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C12H13ClF3N/c1-7(8-2-3-8)17-9-4-5-11(13)10(6-9)12(14,15)16/h4-8,17H,2-3H2,1H3
InChIKeyHPHYGBGFCHVKQS-UHFFFAOYSA-N
MW263.69 g/mol
LogP4.57
Rot. Bonds3

About 4-chloro-N-(1-cyclopropylethyl)-3-(trifluoromethyl)aniline

4-chloro-N-(1-cyclopropylethyl)-3-(trifluoromethyl)aniline (PubChem CID 43132882) has the molecular formula C12H13ClF3N and a molecular weight of 263.69 g/mol. Its IUPAC name is 4-chloro-N-(1-cyclopropylethyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(1-cyclopropylethyl)-3-(trifluoromethyl)aniline
PubChem CID43132882
Molecular FormulaC12H13ClF3N
Molecular Weight263.69 g/mol
Exact Mass263.07
IUPAC Name4-chloro-N-(1-cyclopropylethyl)-3-(trifluoromethyl)aniline
SMILESCC(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C12H13ClF3N/c1-7(8-2-3-8)17-9-4-5-11(13)10(6-9)12(14,15)16/h4-8,17H,2-3H2,1H3
InChIKeyHPHYGBGFCHVKQS-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-cyclopropylethyl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-chloro-N-(1-cyclopropylethyl)-3-(trifluoromethyl)aniline (CID 43132882) is 4-chloro-N-(1-cyclopropylethyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-chloro-N-(1-cyclopropylethyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-chloro-N-(1-cyclopropylethyl)-3-(trifluoromethyl)aniline is CC(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CC1.
What is the InChIKey of 4-chloro-N-(1-cyclopropylethyl)-3-(trifluoromethyl)aniline?
The InChIKey is HPHYGBGFCHVKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N/c1-7(8-2-3-8)17-9-4-5-11(13)10(6-9)12(14,15)16/h4-8,17H,2-3H2,1H3.
What are the key properties of 4-chloro-N-(1-cyclopropylethyl)-3-(trifluoromethyl)aniline?
4-chloro-N-(1-cyclopropylethyl)-3-(trifluoromethyl)aniline has a molecular weight of 263.69 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-cyclopropylethyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 43132882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).