3-[cyclopropyl(difluoro)methyl]aniline

C10H11F2N — CID 83855657

IUPAC3-[cyclopropyl(difluoro)methyl]aniline
SMILESNc1cccc(C(F)(F)C2CC2)c1
InChIInChI=1S/C10H11F2N/c11-10(12,7-4-5-7)8-2-1-3-9(13)6-8/h1-3,6-7H,4-5,13H2
InChIKeyJUEGBKWSMHBFLX-UHFFFAOYSA-N
MW183.20 g/mol
LogP2.77
Rot. Bonds2

About 3-[cyclopropyl(difluoro)methyl]aniline

3-[cyclopropyl(difluoro)methyl]aniline (PubChem CID 83855657) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is 3-[cyclopropyl(difluoro)methyl]aniline.

Molecular Properties

Compound Name3-[cyclopropyl(difluoro)methyl]aniline
PubChem CID83855657
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name3-[cyclopropyl(difluoro)methyl]aniline
SMILESNc1cccc(C(F)(F)C2CC2)c1
InChIInChI=1S/C10H11F2N/c11-10(12,7-4-5-7)8-2-1-3-9(13)6-8/h1-3,6-7H,4-5,13H2
InChIKeyJUEGBKWSMHBFLX-UHFFFAOYSA-N
XLogP2.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(difluoro)methyl]aniline?
The IUPAC name of 3-[cyclopropyl(difluoro)methyl]aniline (CID 83855657) is 3-[cyclopropyl(difluoro)methyl]aniline.
What is the SMILES notation for 3-[cyclopropyl(difluoro)methyl]aniline?
The canonical SMILES for 3-[cyclopropyl(difluoro)methyl]aniline is Nc1cccc(C(F)(F)C2CC2)c1.
What is the InChIKey of 3-[cyclopropyl(difluoro)methyl]aniline?
The InChIKey is JUEGBKWSMHBFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N/c11-10(12,7-4-5-7)8-2-1-3-9(13)6-8/h1-3,6-7H,4-5,13H2.
What are the key properties of 3-[cyclopropyl(difluoro)methyl]aniline?
3-[cyclopropyl(difluoro)methyl]aniline has a molecular weight of 183.20 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(difluoro)methyl]aniline is sourced from PubChem (CID 83855657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).