3-cyclopropyl-N-(trifluoromethyl)aniline

C10H10F3N — CID 172726656

IUPAC3-cyclopropyl-N-(trifluoromethyl)aniline
SMILESFC(F)(F)Nc1cccc(C2CC2)c1
InChIInChI=1S/C10H10F3N/c11-10(12,13)14-9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7,14H,4-5H2
InChIKeyHFVNZTXYCAXRDG-UHFFFAOYSA-N
MW201.19 g/mol
LogP3.50
Rot. Bonds2

About 3-cyclopropyl-N-(trifluoromethyl)aniline

3-cyclopropyl-N-(trifluoromethyl)aniline (PubChem CID 172726656) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is 3-cyclopropyl-N-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-cyclopropyl-N-(trifluoromethyl)aniline
PubChem CID172726656
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC Name3-cyclopropyl-N-(trifluoromethyl)aniline
SMILESFC(F)(F)Nc1cccc(C2CC2)c1
InChIInChI=1S/C10H10F3N/c11-10(12,13)14-9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7,14H,4-5H2
InChIKeyHFVNZTXYCAXRDG-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(trifluoromethyl)aniline?
The IUPAC name of 3-cyclopropyl-N-(trifluoromethyl)aniline (CID 172726656) is 3-cyclopropyl-N-(trifluoromethyl)aniline.
What is the SMILES notation for 3-cyclopropyl-N-(trifluoromethyl)aniline?
The canonical SMILES for 3-cyclopropyl-N-(trifluoromethyl)aniline is FC(F)(F)Nc1cccc(C2CC2)c1.
What is the InChIKey of 3-cyclopropyl-N-(trifluoromethyl)aniline?
The InChIKey is HFVNZTXYCAXRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N/c11-10(12,13)14-9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7,14H,4-5H2.
What are the key properties of 3-cyclopropyl-N-(trifluoromethyl)aniline?
3-cyclopropyl-N-(trifluoromethyl)aniline has a molecular weight of 201.19 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(trifluoromethyl)aniline is sourced from PubChem (CID 172726656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).