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

C11H11ClF3N — CID 43714624

IUPAC2-chloro-N-(cyclopropylmethyl)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCC2CC2)c(Cl)c1
InChIInChI=1S/C11H11ClF3N/c12-9-5-8(11(13,14)15)3-4-10(9)16-6-7-1-2-7/h3-5,7,16H,1-2,6H2
InChIKeyGORDWZMLJOWUPQ-UHFFFAOYSA-N
MW249.66 g/mol
LogP4.18
Rot. Bonds3

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

2-chloro-N-(cyclopropylmethyl)-4-(trifluoromethyl)aniline (PubChem CID 43714624) has the molecular formula C11H11ClF3N and a molecular weight of 249.66 g/mol. Its IUPAC name is 2-chloro-N-(cyclopropylmethyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(cyclopropylmethyl)-4-(trifluoromethyl)aniline
PubChem CID43714624
Molecular FormulaC11H11ClF3N
Molecular Weight249.66 g/mol
Exact Mass249.05
IUPAC Name2-chloro-N-(cyclopropylmethyl)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCC2CC2)c(Cl)c1
InChIInChI=1S/C11H11ClF3N/c12-9-5-8(11(13,14)15)3-4-10(9)16-6-7-1-2-7/h3-5,7,16H,1-2,6H2
InChIKeyGORDWZMLJOWUPQ-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
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-(cyclopropylmethyl)-4-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-(cyclopropylmethyl)-4-(trifluoromethyl)aniline (CID 43714624) is 2-chloro-N-(cyclopropylmethyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-(cyclopropylmethyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-(cyclopropylmethyl)-4-(trifluoromethyl)aniline is FC(F)(F)c1ccc(NCC2CC2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(cyclopropylmethyl)-4-(trifluoromethyl)aniline?
The InChIKey is GORDWZMLJOWUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N/c12-9-5-8(11(13,14)15)3-4-10(9)16-6-7-1-2-7/h3-5,7,16H,1-2,6H2.
What are the key properties of 2-chloro-N-(cyclopropylmethyl)-4-(trifluoromethyl)aniline?
2-chloro-N-(cyclopropylmethyl)-4-(trifluoromethyl)aniline has a molecular weight of 249.66 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-(cyclopropylmethyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 43714624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).